2-cyclohexylpentan-2-ol

C11H22O — CID 75245103

IUPAC2-cyclohexylpentan-2-ol
SMILESCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C11H22O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyBEOBLTWSYKMGHH-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds3

About 2-cyclohexylpentan-2-ol

2-cyclohexylpentan-2-ol (PubChem CID 75245103) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-cyclohexylpentan-2-ol.

Molecular Properties

Compound Name2-cyclohexylpentan-2-ol
PubChem CID75245103
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-cyclohexylpentan-2-ol
SMILESCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C11H22O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyBEOBLTWSYKMGHH-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 93298138
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
2-cyclohexyl-4-ethylhexan-2-ol
CID 114794849
1-cyclohexyl-1-(ethylamino)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpentan-2-ol?
The IUPAC name of 2-cyclohexylpentan-2-ol (CID 75245103) is 2-cyclohexylpentan-2-ol.
What is the SMILES notation for 2-cyclohexylpentan-2-ol?
The canonical SMILES for 2-cyclohexylpentan-2-ol is CCCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpentan-2-ol?
The InChIKey is BEOBLTWSYKMGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexylpentan-2-ol?
2-cyclohexylpentan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpentan-2-ol is sourced from PubChem (CID 75245103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).