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
-2.2056 -1.0855 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 -0.3163 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 0.9502 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 1.0185 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0491 0.6993 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0500 0.5496 1.1057 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3127 0.5363 -0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4362 0.2295 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6737 0.1004 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3383 -1.0427 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9337 -1.9276 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0457 -0.5639 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3485 -1.6894 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0016 -0.1922 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1449 -1.0187 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4003 1.6750 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2087 1.4636 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1823 0.3931 -1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 2.0612 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5758 1.0180 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2026 -0.7479 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0494 0.9230 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2422 -1.1192 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0289 -1.9142 -0.1559 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