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
-2.2518 -0.7282 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6582 -0.1096 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.1847 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 1.1263 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 0.7416 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 -0.3987 0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2608 1.7292 0.1465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2276 1.3560 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1261 0.3058 0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1923 -0.8609 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2453 -1.0160 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7713 -0.0593 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7325 -1.6907 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1829 0.8582 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -0.7397 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2818 0.6912 -2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3081 -0.7388 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0025 1.4123 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1064 2.0997 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7885 2.2551 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 0.9875 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7136 0.5315 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8535 -1.6172 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5955 -1.0442 2.0597 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