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
3.7494 -0.3924 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0832 0.9312 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6770 0.8696 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8744 -0.2575 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -0.2378 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 0.6289 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4739 -1.1468 0.1942 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.1001 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4635 0.1771 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5996 0.1917 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 -1.1748 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8439 -0.2099 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 -0.6753 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0390 1.0972 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5998 1.7515 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6465 0.7478 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1515 1.8239 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8605 -0.1548 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -1.1920 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3386 -1.9490 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7157 -1.2221 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0181 1.0859 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0541 -0.7161 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1047 1.1238 0.6904 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