4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

C16H30O2 — CID 65147484

IUPAC4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(CC2CCOCC2)CC1
InChIInChI=1S/C16H30O2/c1-15(2,3)14-4-8-16(17,9-5-14)12-13-6-10-18-11-7-13/h13-14,17H,4-12H2,1-3H3
InChIKeyORPGJUOUEXWJQM-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.77
Rot. Bonds2

About 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 65147484) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID65147484
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(CC2CCOCC2)CC1
InChIInChI=1S/C16H30O2/c1-15(2,3)14-4-8-16(17,9-5-14)12-13-6-10-18-11-7-13/h13-14,17H,4-12H2,1-3H3
InChIKeyORPGJUOUEXWJQM-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-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 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 65147484) is 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(CC2CCOCC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is ORPGJUOUEXWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15(2,3)14-4-8-16(17,9-5-14)12-13-6-10-18-11-7-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65147484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).