2,4-ditert-butylcyclohexan-1-ol

C14H28O — CID 546032

IUPAC2,4-ditert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyCBQDYDCHZZWCRJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.86
Rot. Bonds

About 2,4-ditert-butylcyclohexan-1-ol

2,4-ditert-butylcyclohexan-1-ol (PubChem CID 546032) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,4-ditert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-ditert-butylcyclohexan-1-ol
PubChem CID546032
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,4-ditert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyCBQDYDCHZZWCRJ-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-ditert-butylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylcyclohexan-1-ol?
The IUPAC name of 2,4-ditert-butylcyclohexan-1-ol (CID 546032) is 2,4-ditert-butylcyclohexan-1-ol.
What is the SMILES notation for 2,4-ditert-butylcyclohexan-1-ol?
The canonical SMILES for 2,4-ditert-butylcyclohexan-1-ol is CC(C)(C)C1CCC(O)C(C(C)(C)C)C1.
What is the InChIKey of 2,4-ditert-butylcyclohexan-1-ol?
The InChIKey is CBQDYDCHZZWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 2,4-ditert-butylcyclohexan-1-ol?
2,4-ditert-butylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylcyclohexan-1-ol is sourced from PubChem (CID 546032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).