4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one

C11H18O3 — CID 139708393

IUPAC4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one
SMILESCOCCCCCC1C(=O)C=CC1O
InChIInChI=1S/C11H18O3/c1-14-8-4-2-3-5-9-10(12)6-7-11(9)13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyWCUKKZAMLMLNOL-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.31
Rot. Bonds6

About 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one

4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one (PubChem CID 139708393) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one
PubChem CID139708393
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one
SMILESCOCCCCCC1C(=O)C=CC1O
InChIInChI=1S/C11H18O3/c1-14-8-4-2-3-5-9-10(12)6-7-11(9)13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyWCUKKZAMLMLNOL-UHFFFAOYSA-N
XLogP1.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 5281912
8-iso-PGA1
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CID 16046722
2-Hydroxyisodavanone D
CID 12132773
Hydroxydavanone
CID 5477854
trans-Hydroxydavanone
CID 102441806
(2E,6E)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145976313
(2E,6E,10R,11S)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145978252
Litseaverticillol H
CID 6478030
Cespitularin F
CID 11120662
Cespitularin G
CID 11130380
(3R,4E,6R,7S)-3,6-dihydroxy-4-methyl-10-methylidene-7-propan-2-ylcyclodec-4-en-1-one
CID 11368769

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one (CID 139708393) is 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one is COCCCCCC1C(=O)C=CC1O.
What is the InChIKey of 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one?
The InChIKey is WCUKKZAMLMLNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-14-8-4-2-3-5-9-10(12)6-7-11(9)13/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one?
4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(5-methoxypentyl)cyclopent-2-en-1-one is sourced from PubChem (CID 139708393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).