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
-3.2697 0.2936 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0125 0.4771 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8952 -0.6793 0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 -0.5317 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5962 -0.4871 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 -0.3253 1.6682 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8130 -0.6006 -0.4025 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1354 -0.5368 -0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7899 0.7582 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9179 0.7955 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4388 1.2603 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 -0.4665 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1139 0.0031 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1635 0.5183 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1003 1.4402 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9824 -1.6572 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 -0.6204 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7959 0.4335 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6447 -1.3162 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 -0.7308 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6995 -1.3426 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 1.7008 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 -0.1156 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4096 1.7292 0.3236 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