2,6-ditert-butyl-4-methylcyclohexan-1-ol

C15H30O — CID 2782298

IUPAC2,6-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1CC(C(C)(C)C)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3
InChIKeyOIXQKWDQCODZGF-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.10
Rot. Bonds

About 2,6-ditert-butyl-4-methylcyclohexan-1-ol

2,6-ditert-butyl-4-methylcyclohexan-1-ol (PubChem CID 2782298) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylcyclohexan-1-ol
PubChem CID2782298
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2,6-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1CC(C(C)(C)C)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3
InChIKeyOIXQKWDQCODZGF-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4-methylcyclohexan-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 2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The IUPAC name of 2,6-ditert-butyl-4-methylcyclohexan-1-ol (CID 2782298) is 2,6-ditert-butyl-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The canonical SMILES for 2,6-ditert-butyl-4-methylcyclohexan-1-ol is CC1CC(C(C)(C)C)C(O)C(C(C)(C)C)C1.
What is the InChIKey of 2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The InChIKey is OIXQKWDQCODZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylcyclohexan-1-ol?
2,6-ditert-butyl-4-methylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 2782298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).