Monomers
Allyl valerate
Identifiers
IUPAC name
prop-2-enyl pentanoate
InchI
InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
InchI Key
PWYXVVREDGESBB-UHFFFAOYSA-N
SMILES
CCCCC(=O)OCC=C
Canonical SMILES
CCCCC(=O)OCC=C
Isomeric SMILES
CCCCC(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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
24 23 0 0 0 0 0 0 0 0999 V2000
-2.6916 1.7156 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6988 0.6828 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 -0.6406 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1103 -1.7413 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2983 -1.4730 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 -1.7303 -1.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 -0.9369 1.0457 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5516 -0.6991 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7251 0.2502 -0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3804 1.3897 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4963 1.8092 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5867 2.6597 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7271 1.2910 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6847 1.0341 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8893 0.5906 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 -0.5448 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 -0.9071 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 -2.6562 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3202 -1.9600 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0316 -0.2516 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1338 -1.6400 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.0014 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4754 2.0404 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 1.7190 0.6227 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 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers