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
-3.3356 0.8573 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1847 -0.6328 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7385 -1.0066 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 -0.3134 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4025 -0.7365 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 -1.9449 0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4372 0.1783 0.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7641 -0.2758 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6016 0.9742 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3808 1.2583 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 1.3613 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0857 1.0677 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7373 1.2713 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7635 -1.1465 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6485 -0.9548 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 -0.6971 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6190 -2.1158 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0799 0.7787 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4291 -0.6241 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9159 -0.7870 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0953 -0.9070 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5758 1.6450 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9945 2.1613 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3975 0.5887 -1.5094 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