2,2-dicyclohexylbutan-1-ol

C16H30O — CID 54463641

IUPAC2,2-dicyclohexylbutan-1-ol
SMILESCCC(CO)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15,17H,2-13H2,1H3
InChIKeyXDIVYXZIJRJABB-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.54
Rot. Bonds4

About 2,2-dicyclohexylbutan-1-ol

2,2-dicyclohexylbutan-1-ol (PubChem CID 54463641) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2,2-dicyclohexylbutan-1-ol.

Molecular Properties

Compound Name2,2-dicyclohexylbutan-1-ol
PubChem CID54463641
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2,2-dicyclohexylbutan-1-ol
SMILESCCC(CO)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15,17H,2-13H2,1H3
InChIKeyXDIVYXZIJRJABB-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dicyclohexylbutan-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 2,2-dicyclohexylbutan-1-ol?
The IUPAC name of 2,2-dicyclohexylbutan-1-ol (CID 54463641) is 2,2-dicyclohexylbutan-1-ol.
What is the SMILES notation for 2,2-dicyclohexylbutan-1-ol?
The canonical SMILES for 2,2-dicyclohexylbutan-1-ol is CCC(CO)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylbutan-1-ol?
The InChIKey is XDIVYXZIJRJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15,17H,2-13H2,1H3.
What are the key properties of 2,2-dicyclohexylbutan-1-ol?
2,2-dicyclohexylbutan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylbutan-1-ol is sourced from PubChem (CID 54463641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).