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
-3.5812 -0.7118 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9864 0.3940 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4955 0.5069 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 -0.8259 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5803 -0.8330 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0294 -1.0028 -1.1911 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 -0.6592 0.9941 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8976 -0.6621 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2805 0.4252 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1082 1.3633 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6972 -0.5654 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4310 -1.7216 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1619 -0.7366 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0927 0.1807 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4592 1.3502 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0369 1.3559 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3618 0.6560 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3984 -1.5905 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1405 -1.0679 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2149 -1.6561 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 -0.5366 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 0.4188 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5045 1.3659 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3826 2.1572 -0.3716 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