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
-1.9541 1.7711 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8170 0.5719 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2879 -0.7149 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0909 -1.2907 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.5774 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4870 0.4183 -0.5650 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 -1.1326 0.8761 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4913 -0.6164 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2326 -0.5673 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 0.5494 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5625 2.0553 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6581 2.6546 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 1.8546 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1689 0.4630 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7843 0.8607 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1264 -1.4767 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2159 -0.6811 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 -2.3274 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3148 -1.5136 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0764 -1.2587 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5072 0.4055 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4047 -1.5006 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5587 1.5294 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2290 0.5237 -1.8028 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