4-butyl-1-cyclohexylcyclohexan-1-ol

C16H30O — CID 18688583

IUPAC4-butyl-1-cyclohexylcyclohexan-1-ol
SMILESCCCCC1CCC(O)(C2CCCCC2)CC1
InChIInChI=1S/C16H30O/c1-2-3-7-14-10-12-16(17,13-11-14)15-8-5-4-6-9-15/h14-15,17H,2-13H2,1H3
InChIKeyHGKWFSGYHYVUEY-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.68
Rot. Bonds4

About 4-butyl-1-cyclohexylcyclohexan-1-ol

4-butyl-1-cyclohexylcyclohexan-1-ol (PubChem CID 18688583) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-butyl-1-cyclohexylcyclohexan-1-ol.

Molecular Properties

Compound Name4-butyl-1-cyclohexylcyclohexan-1-ol
PubChem CID18688583
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-butyl-1-cyclohexylcyclohexan-1-ol
SMILESCCCCC1CCC(O)(C2CCCCC2)CC1
InChIInChI=1S/C16H30O/c1-2-3-7-14-10-12-16(17,13-11-14)15-8-5-4-6-9-15/h14-15,17H,2-13H2,1H3
InChIKeyHGKWFSGYHYVUEY-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-cyclohexylcyclohexan-1-ol?
The IUPAC name of 4-butyl-1-cyclohexylcyclohexan-1-ol (CID 18688583) is 4-butyl-1-cyclohexylcyclohexan-1-ol.
What is the SMILES notation for 4-butyl-1-cyclohexylcyclohexan-1-ol?
The canonical SMILES for 4-butyl-1-cyclohexylcyclohexan-1-ol is CCCCC1CCC(O)(C2CCCCC2)CC1.
What is the InChIKey of 4-butyl-1-cyclohexylcyclohexan-1-ol?
The InChIKey is HGKWFSGYHYVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-7-14-10-12-16(17,13-11-14)15-8-5-4-6-9-15/h14-15,17H,2-13H2,1H3.
What are the key properties of 4-butyl-1-cyclohexylcyclohexan-1-ol?
4-butyl-1-cyclohexylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-cyclohexylcyclohexan-1-ol is sourced from PubChem (CID 18688583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).