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
-3.6309 1.1130 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9354 -0.1224 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4331 -0.0326 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8852 -1.3337 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5786 -1.3958 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1565 -2.4248 0.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 -0.3734 -0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7590 -0.5177 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3080 0.7504 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1199 1.4885 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6569 0.8046 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 1.4385 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7164 1.9156 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.9716 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1731 -0.2844 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 0.8488 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 0.0548 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 -2.1489 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2357 -1.4269 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1933 -0.6795 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0660 -1.3979 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0482 1.0661 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4149 1.2281 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5181 2.4013 -0.4389 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