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
-3.8511 0.9642 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9634 -0.0624 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5214 0.0382 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7241 -1.0226 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 -1.0123 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4257 -1.8823 -0.8443 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2344 -0.1520 0.6359 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6035 -0.2115 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4585 0.0391 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2969 1.0547 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2887 1.9180 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1919 0.6269 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7064 1.1345 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3584 -1.0809 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9841 0.1180 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1134 1.0360 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 -0.1763 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7430 -0.8531 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -2.0330 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8689 -1.2566 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8567 0.5150 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3656 -0.6422 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 1.7060 0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9118 1.2346 -1.0971 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