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
3.4566 1.3785 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9738 -0.0206 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4774 -0.0275 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9049 -1.3892 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5873 -1.2983 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -1.9064 0.9265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3170 -0.5580 -0.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7203 -0.4625 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2398 0.0767 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9555 1.1847 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9531 1.8362 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5647 1.3635 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1847 2.0552 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3958 -0.7431 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 -0.3001 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0727 0.3480 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 0.6513 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 -2.1668 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2271 -1.7026 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2135 -1.4370 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9943 0.2374 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0371 -0.4335 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1698 1.7130 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3488 1.6012 1.3881 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