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
-4.0457 -1.1401 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6071 0.3064 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5921 0.4725 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4373 -0.4443 1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -0.1328 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2915 1.2662 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 1.6698 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 0.7849 -1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5130 0.8461 -0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6518 0.0667 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.6557 -1.7226 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6966 0.0682 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -0.6895 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4281 -1.6602 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1131 -1.1710 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8910 -1.5975 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2295 0.5968 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5075 0.9451 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3214 1.5416 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0713 0.1576 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6625 -0.2981 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8176 -1.4917 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0946 -0.7972 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5008 -0.3429 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3942 1.3922 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 1.9851 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3157 1.6640 -2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 2.7185 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2690 -0.2787 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0243 1.0547 -2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 0.6801 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8399 -1.3009 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5171 -0.6998 0.9169 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