2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one

C11H16O2 — CID 24746182

IUPAC2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one
SMILESC=CCCCC(O)C1=CCCC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-7-10(12)9-6-5-8-11(9)13/h2,6,10,12H,1,3-5,7-8H2
InChIKeySIIKAEYJMRSSRG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds5

About 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one

2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one (PubChem CID 24746182) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one
PubChem CID24746182
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one
SMILESC=CCCCC(O)C1=CCCC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-7-10(12)9-6-5-8-11(9)13/h2,6,10,12H,1,3-5,7-8H2
InChIKeySIIKAEYJMRSSRG-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one (CID 24746182) is 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one is C=CCCCC(O)C1=CCCC1=O.
What is the InChIKey of 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one?
The InChIKey is SIIKAEYJMRSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-7-10(12)9-6-5-8-11(9)13/h2,6,10,12H,1,3-5,7-8H2.
What are the key properties of 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one?
2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 24746182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).