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
-3.0828 -0.0253 0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 1.1695 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5731 1.1582 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7730 -0.0556 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4009 -0.2750 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 0.5567 0.6998 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2056 -1.3683 -0.3793 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -1.6789 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4159 -0.7099 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 0.3025 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 -0.5648 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6645 -0.7068 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0804 0.3286 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 1.2816 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7930 2.1034 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 1.1875 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 2.1012 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 0.0032 -2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 -0.9724 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 -1.7522 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6445 -2.7213 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3527 -0.8786 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4233 0.5260 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1381 0.9906 -0.7963 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