2-hexylidenecyclopentan-1-one

C11H18O — CID 4574094

IUPAC2-hexylidenecyclopentan-1-one
SMILESCCCCCC=C1CCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3
InChIKeyWZPGQHVPSKTELT-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.25
Rot. Bonds4

About 2-hexylidenecyclopentan-1-one

2-hexylidenecyclopentan-1-one (PubChem CID 4574094) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-hexylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-hexylidenecyclopentan-1-one
PubChem CID4574094
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-hexylidenecyclopentan-1-one
SMILESCCCCCC=C1CCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3
InChIKeyWZPGQHVPSKTELT-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexylidenecyclopentan-1-one?
The IUPAC name of 2-hexylidenecyclopentan-1-one (CID 4574094) is 2-hexylidenecyclopentan-1-one.
What is the SMILES notation for 2-hexylidenecyclopentan-1-one?
The canonical SMILES for 2-hexylidenecyclopentan-1-one is CCCCCC=C1CCCC1=O.
What is the InChIKey of 2-hexylidenecyclopentan-1-one?
The InChIKey is WZPGQHVPSKTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-hexylidenecyclopentan-1-one?
2-hexylidenecyclopentan-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylidenecyclopentan-1-one is sourced from PubChem (CID 4574094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).