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
4.0255 1.9985 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6903 1.3859 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9300 0.1293 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6455 -0.5562 0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 -0.9669 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4242 -1.6360 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3296 -2.0964 -0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -0.9296 -1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4550 -0.0056 -0.9116 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6148 -0.2362 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1337 -1.3650 -0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 0.7983 0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7381 2.0009 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8750 1.3310 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1398 3.0196 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1771 2.1272 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1007 2.1352 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1611 1.1834 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6259 -0.5231 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4246 0.4419 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 0.0872 1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9149 -1.4769 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3630 -1.5702 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5084 -0.0102 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0076 -0.9690 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1825 -2.5355 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 -2.6309 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8025 -2.8524 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8739 -0.4441 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4295 -1.3624 -2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1848 0.5453 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8335 2.2186 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2021 2.7644 1.2711 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