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
-5.0163 0.0321 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7578 0.8587 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3580 1.4440 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 0.3056 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9483 0.7622 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0863 -0.4803 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3568 -0.0364 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3066 -1.2191 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6188 -0.6856 0.3054 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 -1.4543 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6110 -2.7055 0.2602 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -0.8271 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1771 0.4788 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7953 -1.0244 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4541 0.3880 -1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0928 0.1176 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8656 0.2259 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5226 1.6647 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 2.0698 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2818 2.0341 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5958 -0.3734 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5307 -0.2674 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7211 1.3918 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7026 1.3351 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2718 -1.0302 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 -1.0875 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 0.5746 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 0.5648 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 -1.8095 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 -1.9022 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9349 -1.4421 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1567 0.9513 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3252 1.1457 0.3666 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