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
-4.3361 1.0487 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7846 -0.0132 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 -1.2516 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2659 -1.0185 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0095 -0.4417 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0199 -0.2646 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2953 0.3128 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -0.5877 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -0.0071 -0.7686 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2017 0.2440 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1035 -0.0629 1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 0.8557 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6289 1.2074 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3531 0.8458 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7050 1.3040 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4134 1.9870 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 -0.3159 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9859 0.3968 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 -1.9381 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2207 -1.7857 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.3681 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9857 -2.0058 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6101 -1.2169 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1862 0.5228 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4736 0.4761 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1015 -1.2055 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9081 0.5011 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0649 1.3120 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0755 -1.6256 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2642 -0.6190 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2474 1.0303 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8251 1.0304 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5304 1.6533 -2.0107 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