CCCC(C)CCC(=O)O
CAS: 115109-01-8
Nombre: (4R)-4-methylheptanoic acid
SMILES: CCCC(C)CCC(=O)O

Molecular Processing

Molecular formula
C8H16O2
Molecular weight
144.21
Exact mass
144.115
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
10
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
0.875
Molar refractivity
40.94

Supplementary Information

InChIKey: LXHFVSWWDNNDPW-SSDOTTSWSA-N
Sinónimos
(R)-4-Methylheptanoic acidHeptanoic acid, 4-methyl-, (4R)-115109-01-84-Methylheptanoic acid, (-)-UNII-DM88U2KD2AHeptanoic acid, 4-methyl-, (R)-DM88U2KD2ARefChem:198742(4R)-4-methylheptanoic acid(-)-4-methylheptanoic acid(R)-4-Methyl-heptanoic AcidSCHEMBL1198338(4R)-4-methyl-Heptanoic acidLXHFVSWWDNNDPW-SSDOTTSWSA-NDTXSID201363712G80051F555998Q27276483
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