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
-4.2066 1.2574 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3369 0.1315 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7470 0.6414 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8574 -0.3768 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7146 -0.7577 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1807 -1.7691 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7825 -1.2638 -1.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6114 -0.0260 -1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 -0.4352 -0.6836 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5358 0.4840 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4154 1.6766 -0.6446 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5870 0.1297 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4288 1.0410 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0692 0.7987 2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6014 1.8944 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5862 1.8557 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9964 -0.7358 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5081 -0.0344 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1703 1.5548 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5721 0.9651 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 -1.2579 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4837 0.1079 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1554 -1.2549 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1393 0.0933 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 -2.7357 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0337 -1.9554 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0207 -1.0620 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 -2.0387 -2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0527 0.4039 -2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9323 0.7354 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6475 -0.8911 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3407 2.0480 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2046 0.7754 1.8408 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