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
-2.6704 1.2734 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 0.4012 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0051 -1.0066 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0599 -1.0913 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 -0.6093 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 0.6438 0.0272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3863 -1.4170 0.0668 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6316 -0.8590 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 0.1246 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 1.3673 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7048 0.8885 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0505 1.1574 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7244 2.3480 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8620 0.4569 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2124 0.8486 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9907 -1.4732 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5375 -1.6383 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0089 -2.1888 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4542 -0.6123 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6336 -0.4260 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3626 -1.7218 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3094 -0.2110 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 1.6589 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6958 2.0861 -0.8971 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