6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol

C13H26O2 — CID 140608938

IUPAC6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C(O)C1CCCC(C)(C)C1O
InChIInChI=1S/C13H26O2/c1-12(2,3)10(14)9-7-6-8-13(4,5)11(9)15/h9-11,14-15H,6-8H2,1-5H3
InChIKeyJONLIEMLWDLLHI-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.58
Rot. Bonds1

About 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol

6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 140608938) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID140608938
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C(O)C1CCCC(C)(C)C1O
InChIInChI=1S/C13H26O2/c1-12(2,3)10(14)9-7-6-8-13(4,5)11(9)15/h9-11,14-15H,6-8H2,1-5H3
InChIKeyJONLIEMLWDLLHI-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol (CID 140608938) is 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol is CC(C)(C)C(O)C1CCCC(C)(C)C1O.
What is the InChIKey of 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is JONLIEMLWDLLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,3)10(14)9-7-6-8-13(4,5)11(9)15/h9-11,14-15H,6-8H2,1-5H3.
What are the key properties of 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol?
6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 140608938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).