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
-4.3799 0.7240 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7231 0.3200 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 -0.9054 0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8126 -0.7270 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8523 0.3465 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2425 0.5294 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0036 -0.7553 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6352 -1.2098 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5550 -0.3356 0.8695 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6967 0.0187 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9090 -0.4501 -0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6938 0.9303 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7664 1.2322 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6775 1.3017 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2328 1.3783 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7856 -0.1349 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1054 1.1393 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5271 0.0521 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4138 -1.2766 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5507 -1.7428 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2413 -0.5055 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3367 -1.7271 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 1.2879 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 0.0628 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 1.3706 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2379 0.8270 -1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3781 -1.5864 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7606 -0.5867 -1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8815 -1.5138 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 -2.1435 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5131 1.3312 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4946 1.9080 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9627 0.8403 -0.9645 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