Gemcabene
6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid
Molecular Identity
Gemcabene
6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid
PubChem CID: 157692
2D Structure
Properties
C16H30O5
Molecular Formula
302.41
Molecular Weight
g/mol
302.2093
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
302
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)OIsomeric SMILES
SMILES: CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)OSynonyms(20)
Gemcabene183293-82-56,6'-Oxybis(2,2-dimethylhexanoic acid)gemcabenoB96UX1DDKSPD72953PD 72953DTXSID60171407gemcabenumRefChem:142848DTXCID50938986-((5-carboxy-5,5-dimethylpentyl)oxy)-2,2-dimethylhexanoic acidPD-72953Gemcabene [INN]6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid
Data from PubChem (NCBI)
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Drug Network
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