CCCCCC(C)C(=O)O
CAS: 1188-02-9
Name: 2-methylheptanoic acid
SMILES: CCCCCC(C)C(=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: NKBWMBRPILTCRD-UHFFFAOYSA-N
Synonyms
2-METHYLHEPTANOIC ACID2-Methylenanthic acidHeptanoic acid, 2-methyl-alpha-Methylheptanoic acidFEMA No. 2706UNII-42C9131FOZ42C9131FOZEINECS 214-704-2DTXSID20862581.ALPHA.-METHYLHEPTANOIC ACID2-METHYLHEPTANOIC ACID [FHFI]RefChem:88329DTXCID30811323(+-)-2-METHYLHEPTANOIC ACID214-704-2NKBWMBRPILTCRD-UHFFFAOYSA-N1188-02-9Methylamylacetic acid2-methyl-heptanoic acidMFCD00142944heptane-2-carboxylic acid116454-37-6Heptanoic acid, methyl-2-methyl-heptanoicaci2-MethylheptanoicAcidAmylmethylacetic acida-Methylheptanoic acidSCHEMBL163171SCHEMBL277395orb1299303
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Involved in 5 reactions→

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