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
3.8971 -0.2204 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0380 0.8100 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 0.4121 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 0.0256 0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5439 -0.3390 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8612 -0.2855 -1.1441 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5174 -0.7458 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8160 -1.0851 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4677 0.0586 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5937 0.5344 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5099 -1.2529 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1220 0.0245 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8871 -0.2119 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4720 1.1710 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0432 1.7143 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 1.2645 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5815 -0.4276 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2195 -0.8666 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7052 0.8354 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6586 -1.9196 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -1.4767 1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0408 0.5230 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0342 0.0917 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0749 1.3659 -0.1426 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