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
-5.0594 -0.5203 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5643 0.8810 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0817 1.0294 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2728 0.2442 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 0.4786 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 -0.3000 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5420 -0.0940 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9977 -0.5038 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3730 -0.2780 0.6215 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3516 -0.8817 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0086 -1.7000 -1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7821 -0.5777 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1278 0.2732 1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1545 -0.5090 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9387 -0.9071 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6335 -1.2208 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8701 1.2358 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1105 1.5132 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8311 2.1065 0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8195 0.6980 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 0.4641 -1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4630 -0.8483 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5470 1.5526 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5369 0.1929 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1334 -0.0185 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1409 -1.3731 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8593 0.9552 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 -0.6900 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4597 0.1491 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7164 -1.5495 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5139 -1.0538 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3837 0.7560 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1632 0.4959 1.1787 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