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
-4.0307 0.1570 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 0.4047 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -0.6829 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -0.4572 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3007 -0.4609 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 -0.6440 -1.0769 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6461 -0.2325 0.4127 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6417 -0.2082 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9413 0.0629 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6308 1.1428 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1477 -0.6893 -0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4288 1.0930 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6079 -0.0446 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0526 0.3822 -0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4807 1.3860 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -1.6749 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6098 -0.7094 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 0.5128 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2282 -1.2392 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6688 -1.2284 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4688 0.5477 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3032 -0.6090 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5622 1.3519 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2773 1.8397 -0.9690 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