2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol

C15H30O — CID 63459622

IUPAC2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCC(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)5/h11-14,16H,6-10H2,1-5H3
InChIKeySGODCWPUSOYJHP-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.25
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol

2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63459622) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63459622
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCC(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)5/h11-14,16H,6-10H2,1-5H3
InChIKeySGODCWPUSOYJHP-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Analyze 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-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-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol (CID 63459622) is 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CCC(C)(C)C)C1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is SGODCWPUSOYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol?
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63459622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).