3-cyclohexyl-4-methylpentan-1-ol

C12H24O — CID 121406245

IUPAC3-cyclohexyl-4-methylpentan-1-ol
SMILESCC(C)C(CCO)C1CCCCC1
InChIInChI=1S/C12H24O/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyZXUDALMFIHRNHH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds4

About 3-cyclohexyl-4-methylpentan-1-ol

3-cyclohexyl-4-methylpentan-1-ol (PubChem CID 121406245) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-cyclohexyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-4-methylpentan-1-ol
PubChem CID121406245
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-cyclohexyl-4-methylpentan-1-ol
SMILESCC(C)C(CCO)C1CCCCC1
InChIInChI=1S/C12H24O/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyZXUDALMFIHRNHH-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methylpentan-1-ol?
The IUPAC name of 3-cyclohexyl-4-methylpentan-1-ol (CID 121406245) is 3-cyclohexyl-4-methylpentan-1-ol.
What is the SMILES notation for 3-cyclohexyl-4-methylpentan-1-ol?
The canonical SMILES for 3-cyclohexyl-4-methylpentan-1-ol is CC(C)C(CCO)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methylpentan-1-ol?
The InChIKey is ZXUDALMFIHRNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyl-4-methylpentan-1-ol?
3-cyclohexyl-4-methylpentan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methylpentan-1-ol is sourced from PubChem (CID 121406245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).