4,6-Bis(1-methylpentyl)resorcinol
Basic information
- CAS
17048-38-3- Standard SMILES
CCCCC(C)c1cc(C(C)CCCC)c(O)cc1O- InChIKey
PJKFUVDARBUTMP-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 4,6-Bis(1-methylpentyl)resorcinol
- IUPAC
- 4,6-di(hexan-2-yl)benzene-1,3-diol
- English name
- 4,6-dihexan-2-ylbenzene-1,3-diol
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
4,6-di(hexan-2-yl)benzene-1,3-diol17048-38-34,6-BIS(1-METHYLPENTYL)RESORCINOL0GEI7362XR1,3-Benzenediol, 4,6-bis(1-methylpentyl)-UNII-0GEI7362XR4,6-DIHEXAN-2-YLBENZENE-1,3-DIOLResorcinol, 4,6-bis(1-methylpentyl)-SCHEMBL15378781DTXSID809377691,3-DIHYDROXY-4,6-DI-SEC-HEXYLBENZENEQ27236753
Database identifiers
- CAS
17048-38-3- PubChem CID
- 28218
- DTXSID
DTXSID80937769- UNII
- 0GEI7362XR
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- FDA UNII
- 0 GEI7362XR · 0GEI7362XR
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Compound notes
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