1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol

C13H26O2 — CID 10751149

IUPAC1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol
SMILESCC(C)(O)CCCCC1(O)CCCCC1
InChIInChI=1S/C13H26O2/c1-12(2,14)8-6-7-11-13(15)9-4-3-5-10-13/h14-15H,3-11H2,1-2H3
InChIKeyYAVFQIJSKXLUGE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.01
Rot. Bonds5

About 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol

1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol (PubChem CID 10751149) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol
PubChem CID10751149
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol
SMILESCC(C)(O)CCCCC1(O)CCCCC1
InChIInChI=1S/C13H26O2/c1-12(2,14)8-6-7-11-13(15)9-4-3-5-10-13/h14-15H,3-11H2,1-2H3
InChIKeyYAVFQIJSKXLUGE-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

p-MENTHAN-8-OL
CID 10353
1-Methylcycloheptan-1-ol
CID 77376
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
1-Ethylcyclohexanol
CID 16021
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Methylcyclooctanol
CID 97178
1-Butylcyclohexanol
CID 138505

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol (CID 10751149) is 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol is CC(C)(O)CCCCC1(O)CCCCC1.
What is the InChIKey of 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol?
The InChIKey is YAVFQIJSKXLUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,14)8-6-7-11-13(15)9-4-3-5-10-13/h14-15H,3-11H2,1-2H3.
What are the key properties of 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol?
1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-5-methylhexyl)cyclohexan-1-ol is sourced from PubChem (CID 10751149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).