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
-4.9018 -0.8734 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0863 -0.3852 1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6111 -0.4987 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3525 0.3428 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 0.2738 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0138 0.7694 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 0.7427 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7996 -0.6631 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1640 -0.6853 -0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2056 -0.3140 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0238 0.0695 1.1791 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5605 -0.3624 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 -0.7543 -1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9360 -1.1610 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9893 -0.1202 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4184 -1.8246 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2071 -1.0398 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2690 0.6651 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 -1.5628 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9664 -0.2527 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5434 1.4238 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 0.0258 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6999 -0.7799 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8243 0.9700 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2439 1.8267 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 0.1266 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0966 1.2122 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 1.3467 -0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -1.3800 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2024 -1.0398 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3727 -0.0710 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9962 -1.0456 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 -0.7869 -2.1047 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