Monomers
4-Butoxyphenyl 4-(acryloyloxy)benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C20H20O5/c1-3-5-14-23-16-10-12-18(13-11-16)25-20(22)15-6-8-17(9-7-15)24-19(21)4-2/h4,6-13H,2-3,5,14H2,1H3
InchI Key
ICITWMHLOOTUIT-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Isomeric SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H20O5
Heavy Atom Count
25
Molecular Weight
340.375
Exact Molecular Weight
340.1311
Valence Electrons
130
Radical Electrons
0
tPSA
61.83
MolLogP
4.1761
H Bond Acceptors
5
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
45 46 0 0 0 0 0 0 0 0999 V2000
-7.1712 -0.5442 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6476 0.8647 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8597 1.8057 -1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4053 1.7672 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8429 0.4784 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5213 0.2974 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9678 -0.9522 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6536 -1.2166 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8485 -0.1799 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4277 1.0668 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7446 1.3275 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4784 -0.4057 0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -0.2537 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 0.0773 -1.5579 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8637 -0.4751 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7895 -0.3173 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1300 -0.5307 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5474 -0.8928 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6165 -1.0473 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2558 -0.8399 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8931 -1.0913 0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7764 -0.1031 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2944 1.0474 1.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1965 -0.3714 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6922 -1.5803 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0249 -1.2477 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3942 -0.7472 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7369 -0.7579 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7411 0.9657 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4640 1.1922 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2702 2.8215 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9900 1.5613 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2719 2.1313 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7809 2.4322 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5536 -1.7951 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 -2.1876 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 1.8703 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 2.3319 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4518 -0.0308 -2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8515 -0.4053 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9678 -1.3322 2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5345 -0.9647 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8659 0.4115 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7174 -1.8045 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0386 -2.3758 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
18 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 2 3
11 6 1 0
20 15 1 0
1 26 1 0
1 27 1 0
1 28 1 0
2 29 1 0
2 30 1 0
3 31 1 0
3 32 1 0
4 33 1 0
4 34 1 0
7 35 1 0
8 36 1 0
10 37 1 0
11 38 1 0
16 39 1 0
17 40 1 0
19 41 1 0
20 42 1 0
24 43 1 0
25 44 1 0
25 45 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers