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
4.3263 0.1811 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1196 -0.3352 -0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8952 0.0965 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 -0.4113 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5229 -0.0089 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 0.6457 1.1121 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7781 -0.3670 -0.4676 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9125 0.0574 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1105 -0.4366 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9867 0.4521 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2495 -0.3652 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0844 0.1174 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4710 1.2411 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1617 0.1521 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 -1.4160 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9263 -0.2152 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 1.2131 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -1.5091 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7493 0.0119 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8821 -0.3595 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8695 1.1617 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2246 -1.5084 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8225 1.4942 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8584 0.1083 -1.4020 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