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
-2.9028 0.3691 4.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6437 -0.0016 2.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5861 -0.4180 1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6050 0.7112 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5771 0.1949 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3788 1.3282 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 0.9597 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8706 0.5783 -2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8625 0.2344 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7622 -0.7997 -2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7222 -1.5109 -1.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 -1.0861 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6008 -2.0759 -3.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6030 0.4249 4.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3456 1.3023 3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1674 -0.4335 4.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3016 -0.8471 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2549 0.8417 2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0375 -1.2727 2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0611 -0.7704 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0643 1.0182 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 1.5794 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0501 -0.6741 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.0775 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1829 2.2072 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8653 1.5815 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0332 0.1078 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1699 1.7880 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -0.3219 -1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2763 1.4055 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7828 -0.4751 -4.8234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5526 -2.6762 -2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 -2.3106 -4.5325 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