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

C15H30O — CID 147410667

IUPAC1,2-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h11-12,16H,8-10H2,1-7H3
InChIKeyDQNSZBLVRXBTJB-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.25
Rot. Bonds

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

1,2-ditert-butyl-4-methylcyclohexan-1-ol (PubChem CID 147410667) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-methylcyclohexan-1-ol
PubChem CID147410667
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1,2-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h11-12,16H,8-10H2,1-7H3
InChIKeyDQNSZBLVRXBTJB-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-methylcyclohexan-1-ol?
The IUPAC name of 1,2-ditert-butyl-4-methylcyclohexan-1-ol (CID 147410667) is 1,2-ditert-butyl-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-methylcyclohexan-1-ol?
The canonical SMILES for 1,2-ditert-butyl-4-methylcyclohexan-1-ol is CC1CCC(O)(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 1,2-ditert-butyl-4-methylcyclohexan-1-ol?
The InChIKey is DQNSZBLVRXBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h11-12,16H,8-10H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-methylcyclohexan-1-ol?
1,2-ditert-butyl-4-methylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 147410667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).