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
-3.6920 0.1981 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8542 -0.7013 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 -0.2160 0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6613 -0.0304 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7113 0.4529 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 0.6359 1.1877 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 0.7096 -0.9911 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9471 1.1465 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7740 0.1462 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2831 -1.0291 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7425 0.1329 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7315 -0.1354 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4042 1.2674 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3647 -0.9169 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8009 -1.6978 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9568 -0.9216 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5194 0.7565 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5186 -1.0611 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1713 0.5574 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9925 2.0767 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4199 1.3530 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8315 0.3922 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 -1.3852 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9463 -1.7303 0.7958 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