1-cyclopentylhexan-1-ol

C11H22O — CID 62606146

IUPAC1-cyclopentylhexan-1-ol
SMILESCCCCCC(O)C1CCCC1
InChIInChI=1S/C11H22O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10-12H,2-9H2,1H3
InChIKeyPNNGUDOPIZRUEO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopentylhexan-1-ol

1-cyclopentylhexan-1-ol (PubChem CID 62606146) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-cyclopentylhexan-1-ol.

Molecular Properties

Compound Name1-cyclopentylhexan-1-ol
PubChem CID62606146
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-cyclopentylhexan-1-ol
SMILESCCCCCC(O)C1CCCC1
InChIInChI=1S/C11H22O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10-12H,2-9H2,1H3
InChIKeyPNNGUDOPIZRUEO-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylhexan-1-ol?
The IUPAC name of 1-cyclopentylhexan-1-ol (CID 62606146) is 1-cyclopentylhexan-1-ol.
What is the SMILES notation for 1-cyclopentylhexan-1-ol?
The canonical SMILES for 1-cyclopentylhexan-1-ol is CCCCCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentylhexan-1-ol?
The InChIKey is PNNGUDOPIZRUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentylhexan-1-ol?
1-cyclopentylhexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylhexan-1-ol is sourced from PubChem (CID 62606146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).