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
-3.9441 0.6474 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3802 0.7650 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5199 -0.1217 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0548 0.2512 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 -0.6924 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 -0.3825 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7960 -0.4955 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2851 -0.1522 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8502 -0.2576 0.7574 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1973 -0.0164 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8928 0.3059 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7738 -0.1240 2.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0492 0.1157 2.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7391 1.1056 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8970 -0.4440 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9691 1.1456 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4151 0.3857 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3747 1.8178 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6157 -1.1581 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8143 -0.0398 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7134 0.1719 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8867 1.2867 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4462 -1.7342 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 -0.5406 -2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3588 0.6936 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 -1.0586 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6612 -1.4684 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 0.3075 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 -0.8083 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4001 0.9082 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1603 -0.3979 3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6623 0.3911 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5494 0.0534 3.4600 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