6-cyclobutylidenehexan-1-ol

C10H18O — CID 14022228

IUPAC6-cyclobutylidenehexan-1-ol
SMILESOCCCCCC=C1CCC1
InChIInChI=1S/C10H18O/c11-9-4-2-1-3-6-10-7-5-8-10/h6,11H,1-5,7-9H2
InChIKeyCORMTYIYKAGZGL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds5

About 6-cyclobutylidenehexan-1-ol

6-cyclobutylidenehexan-1-ol (PubChem CID 14022228) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-cyclobutylidenehexan-1-ol.

Molecular Properties

Compound Name6-cyclobutylidenehexan-1-ol
PubChem CID14022228
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-cyclobutylidenehexan-1-ol
SMILESOCCCCCC=C1CCC1
InChIInChI=1S/C10H18O/c11-9-4-2-1-3-6-10-7-5-8-10/h6,11H,1-5,7-9H2
InChIKeyCORMTYIYKAGZGL-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylidenehexan-1-ol?
The IUPAC name of 6-cyclobutylidenehexan-1-ol (CID 14022228) is 6-cyclobutylidenehexan-1-ol.
What is the SMILES notation for 6-cyclobutylidenehexan-1-ol?
The canonical SMILES for 6-cyclobutylidenehexan-1-ol is OCCCCCC=C1CCC1.
What is the InChIKey of 6-cyclobutylidenehexan-1-ol?
The InChIKey is CORMTYIYKAGZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c11-9-4-2-1-3-6-10-7-5-8-10/h6,11H,1-5,7-9H2.
What are the key properties of 6-cyclobutylidenehexan-1-ol?
6-cyclobutylidenehexan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylidenehexan-1-ol is sourced from PubChem (CID 14022228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).