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
-3.5061 -0.9892 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 -0.2740 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8073 0.6737 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5086 1.3670 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5661 0.3626 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -0.2142 -1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4105 0.0526 0.9965 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 -0.8654 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5051 -0.4220 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4837 0.7084 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -1.9945 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1942 -0.3874 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0157 -1.1999 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 0.2838 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4206 -1.0478 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 0.1591 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5858 1.4768 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6449 1.8692 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 2.1600 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -1.8174 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8691 -1.1312 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3567 -1.1179 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6940 1.4241 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3463 0.9234 -1.3013 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