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
-3.5269 -1.3109 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -0.2705 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9189 0.5008 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7141 -0.3886 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 0.4050 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3420 1.6486 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 -0.1908 -0.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7821 0.6597 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 -0.0506 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1988 -1.3620 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4500 -2.3046 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8446 -1.2264 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5891 -1.2175 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 0.4043 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9607 -0.7167 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 1.2454 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0753 1.0921 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 -0.8486 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8850 -1.2073 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5084 1.1232 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8672 1.4808 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9221 0.5401 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3760 -2.0194 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1482 -1.8336 -0.7682 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