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
-3.3963 1.7472 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8558 0.3333 -1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2685 -0.4835 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 -0.3727 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 -1.1490 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4597 -1.0233 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 -1.5433 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4316 -1.5472 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -0.3990 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4993 0.4428 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 0.1521 1.5767 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2941 1.6604 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5732 2.4125 1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4691 1.9230 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 1.9740 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1866 2.3955 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9601 0.2925 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4763 -0.0969 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5913 -0.0275 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5427 -1.5479 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 -0.8341 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.6796 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3636 -0.6909 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3941 -2.1932 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9375 -1.5312 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 0.0818 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5873 -2.6179 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4428 -1.0727 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8387 -2.3795 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6325 -1.9787 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6573 1.9516 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1538 3.3102 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 2.1321 2.2562 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