CCC(C)CC(=O)O
CAS: 105-43-1
Nombre: 3-methylpentanoic acid
SMILES: CCC(C)CC(=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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
31.71

Supplementary Information

InChIKey: IGIDLTISMCAULB-UHFFFAOYSA-N
Sinónimos
3-Methylvaleric acid105-43-13-METHYLPENTANOIC ACIDPentanoic acid, 3-methyl-3-methyl-pentanoic acid3-methyl valeric acidValeric acid, 3-methyl-beta-Methylvaleric acidButylacetic acid, sec-2-Methylbutane-1-carboxylic acidFEMA No. 343785FS4Y39LJCHEBI:166883DTXSID20861716RefChem:94980DTXCID60810602203-297-7dl-3-methylvaleric acid3-Methyl-n-valeric acid(+/-)-3-Methylvaleric acid3-Methyl pentanoic acidsec-BUTYLACETIC ACID(S)-(+)-3-Methylpentanoic acidMFCD00002729.beta.-Methylvaleric acid10347-93-02-methyl butane-1-carboxylic acid3-Methyl-n-pentanoic acid3-MethylvalericAcid3-ethylbutanoic acid
Ver fuente →
Participa en 45 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→