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
-5.7748 -0.4203 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6046 -0.6538 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3089 -0.2580 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1814 -0.5108 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 -0.1406 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -0.4316 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6063 -0.0946 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5488 -0.4264 -1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8962 -0.1820 -0.9062 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 1.0952 -0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4625 2.0108 -0.6164 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7377 1.3704 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6105 0.3997 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4635 0.2128 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5817 0.0955 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1541 -1.3784 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7338 -0.0128 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5835 -1.6894 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1587 -0.8905 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3264 0.8147 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 -1.5428 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3427 0.2019 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 0.9067 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6967 -0.7710 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1358 -1.4785 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0068 0.2524 -1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6638 0.9263 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8772 -0.7650 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 0.0842 -2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4793 -1.5225 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 2.3733 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2686 -0.6047 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6566 0.6152 -0.1348 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