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
-3.5587 0.1526 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1649 -0.4350 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7696 -0.4741 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3943 -1.0407 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5935 -0.2001 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8125 -0.3225 -0.9584 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3159 0.7632 0.9563 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2590 1.5519 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3928 0.7984 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6127 -0.4956 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8182 0.2181 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2999 -0.5072 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5582 1.1873 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4991 0.2120 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2108 -1.4465 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5128 -1.0848 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.5832 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 -1.0174 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3264 -2.1045 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8004 2.1224 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 2.2753 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1384 1.4099 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9825 -1.2118 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5114 -0.9343 -0.6403 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