Monomers
Octyl acrylate
Identifiers
IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
33 32 0 0 0 0 0 0 0 0999 V2000
-4.8768 -0.1989 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2816 1.1080 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7854 1.0200 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 -0.0055 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9467 -0.1144 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 -0.5155 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2834 -0.6108 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 -1.0193 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3713 -1.1356 -0.7390 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 -0.1239 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7256 0.9965 -0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6622 -0.3022 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4014 0.7222 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0952 -0.8803 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6304 -0.0555 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3993 -0.6619 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7355 1.4208 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4508 1.8669 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4178 2.0209 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3819 0.6707 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8923 0.2939 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8346 -0.9775 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 -0.9397 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5137 0.7904 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 -1.4799 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4093 0.2356 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6265 0.3959 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4908 -1.3395 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5994 -2.0027 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7034 -0.2984 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1636 -1.2398 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4722 0.6577 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9654 1.7021 0.3764 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 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 3
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers