2-[(E)-hex-2-enyl]cyclopentan-1-one

C11H18O — CID 5367850

IUPAC2-[(E)-hex-2-enyl]cyclopentan-1-one
SMILESCCC/C=C/CC1CCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3/b5-4+
InChIKeyXXQYRQXKTWEIFQ-SNAWJCMRSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

About 2-[(E)-hex-2-enyl]cyclopentan-1-one

2-[(E)-hex-2-enyl]cyclopentan-1-one (PubChem CID 5367850) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(E)-hex-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-hex-2-enyl]cyclopentan-1-one
PubChem CID5367850
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(E)-hex-2-enyl]cyclopentan-1-one
SMILESCCC/C=C/CC1CCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3/b5-4+
InChIKeyXXQYRQXKTWEIFQ-SNAWJCMRSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-2-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-hex-2-enyl]cyclopentan-1-one (CID 5367850) is 2-[(E)-hex-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-hex-2-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-hex-2-enyl]cyclopentan-1-one is CCC/C=C/CC1CCCC1=O.
What is the InChIKey of 2-[(E)-hex-2-enyl]cyclopentan-1-one?
The InChIKey is XXQYRQXKTWEIFQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of 2-[(E)-hex-2-enyl]cyclopentan-1-one?
2-[(E)-hex-2-enyl]cyclopentan-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 5367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).