4-cycloheptylbutan-1-ol

C11H22O — CID 54439965

IUPAC4-cycloheptylbutan-1-ol
SMILESOCCCCC1CCCCCC1
InChIInChI=1S/C11H22O/c12-10-6-5-9-11-7-3-1-2-4-8-11/h11-12H,1-10H2
InChIKeyLBLZRZPERBMFPV-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds4

About 4-cycloheptylbutan-1-ol

4-cycloheptylbutan-1-ol (PubChem CID 54439965) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-cycloheptylbutan-1-ol.

Molecular Properties

Compound Name4-cycloheptylbutan-1-ol
PubChem CID54439965
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-cycloheptylbutan-1-ol
SMILESOCCCCC1CCCCCC1
InChIInChI=1S/C11H22O/c12-10-6-5-9-11-7-3-1-2-4-8-11/h11-12H,1-10H2
InChIKeyLBLZRZPERBMFPV-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylbutan-1-ol?
The IUPAC name of 4-cycloheptylbutan-1-ol (CID 54439965) is 4-cycloheptylbutan-1-ol.
What is the SMILES notation for 4-cycloheptylbutan-1-ol?
The canonical SMILES for 4-cycloheptylbutan-1-ol is OCCCCC1CCCCCC1.
What is the InChIKey of 4-cycloheptylbutan-1-ol?
The InChIKey is LBLZRZPERBMFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c12-10-6-5-9-11-7-3-1-2-4-8-11/h11-12H,1-10H2.
What are the key properties of 4-cycloheptylbutan-1-ol?
4-cycloheptylbutan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylbutan-1-ol is sourced from PubChem (CID 54439965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).