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
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
-5.1670 0.3279 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3715 0.0555 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9075 0.4300 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2441 -0.3198 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8099 0.1112 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0589 -0.1495 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 0.2519 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 -0.5188 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4170 -0.0532 0.3406 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3802 -0.5299 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9923 -1.4242 2.0297 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7568 -0.0506 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0920 0.8784 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1562 -0.5348 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2289 0.4992 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8242 1.2658 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7980 0.6762 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4499 -0.9988 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7809 1.5191 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4210 0.1451 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7132 -0.1699 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 -1.4281 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8339 1.2109 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3459 -0.3325 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0993 -1.1932 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5213 0.4591 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 1.3601 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 0.1677 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6165 -0.4141 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 -1.5894 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4950 -0.4330 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3797 1.2869 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0970 1.2748 0.2722 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