4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol

C11H18O — CID 67743206

IUPAC4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1(C)C=CC(O)=CC1
InChIInChI=1S/C11H18O/c1-10(2,3)11(4)7-5-9(12)6-8-11/h5-7,12H,8H2,1-4H3
InChIKeyJCDQGQURNKYKLM-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.44
Rot. Bonds

About 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol

4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 67743206) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID67743206
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1(C)C=CC(O)=CC1
InChIInChI=1S/C11H18O/c1-10(2,3)11(4)7-5-9(12)6-8-11/h5-7,12H,8H2,1-4H3
InChIKeyJCDQGQURNKYKLM-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-4-methylcyclohexa-1,5-dien-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-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol (CID 67743206) is 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol is CC(C)(C)C1(C)C=CC(O)=CC1.
What is the InChIKey of 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is JCDQGQURNKYKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2,3)11(4)7-5-9(12)6-8-11/h5-7,12H,8H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol?
4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67743206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).