CC(C)CCC(=O)O
CAS: 646-07-1
Nom: 4-methylpentanoic acid
SMILES: CC(C)CCC(=O)O

Molecular Processing

Molecular formula
C6H12O2
Molecular weight
116.16
Exact mass
116.0837
XLogP
1.51
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
31.71

Supplementary Information

InChIKey: FGKJLKRYENPLQH-UHFFFAOYSA-N
Synonymes
4-Methylvaleric acid4-METHYLPENTANOIC ACIDIsocaproic acid646-07-1Isohexanoic acidPentanoic acid, 4-methyl-Isobutylacetic acidValeric acid, 4-methyl-FEMA No. 34634G4U8JA28TNSC-4126DTXSID8060951CHEBI:74903RefChem:791685DTXCID7044342211-464-04-methyl-pentanoic acid4-METHYL VALERIC ACID4,4-Dimethylbutanoic acid4-Methyl-n-valeric acidIsohexoic acidMFCD000028033-Methylbutane-1-carboxylic acidNSC 41264-methyl-Valeric acid4-Methylpentanoic acid-1-13CIsohexanoateIsohexoate4-Methylvalerate4-methyl-Valerate
Voir la source →
Impliqué dans 53 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→