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
-3.2713 -1.1374 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1842 0.3584 0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 0.7171 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 0.2875 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 0.6078 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 1.1626 0.7933 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4070 0.2897 -1.2847 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 0.5982 -1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2712 -0.1228 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2680 -0.9814 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9671 -1.4143 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3312 -1.4319 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 -1.6266 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8178 0.6947 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5069 0.8926 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5976 1.7876 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3707 0.0891 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0268 -0.8213 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3254 0.7458 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 0.3117 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9370 1.6937 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8696 0.0105 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6825 -1.5443 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7221 -1.1669 -1.0316 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