4-hydroxy-5-pentylcyclopent-2-en-1-one

C10H16O2 — CID 13176131

IUPAC4-hydroxy-5-pentylcyclopent-2-en-1-one
SMILESCCCCCC1C(=O)C=CC1O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h6-9,11H,2-5H2,1H3
InChIKeyPJVOCKSLNHMZQP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds4

About 4-hydroxy-5-pentylcyclopent-2-en-1-one

4-hydroxy-5-pentylcyclopent-2-en-1-one (PubChem CID 13176131) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-5-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-pentylcyclopent-2-en-1-one
PubChem CID13176131
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-5-pentylcyclopent-2-en-1-one
SMILESCCCCCC1C(=O)C=CC1O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h6-9,11H,2-5H2,1H3
InChIKeyPJVOCKSLNHMZQP-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pga1
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8-iso-PGA1
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6-((1S,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexanoic acid
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(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
CID 13970045
2-Hydroxyisodavanone D
CID 12132773
16,16-Dimethylprostaglandin A1
CID 5271806
Hydroxydavanone
CID 5477854
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-pentylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-5-pentylcyclopent-2-en-1-one (CID 13176131) is 4-hydroxy-5-pentylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-pentylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-pentylcyclopent-2-en-1-one is CCCCCC1C(=O)C=CC1O.
What is the InChIKey of 4-hydroxy-5-pentylcyclopent-2-en-1-one?
The InChIKey is PJVOCKSLNHMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h6-9,11H,2-5H2,1H3.
What are the key properties of 4-hydroxy-5-pentylcyclopent-2-en-1-one?
4-hydroxy-5-pentylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 13176131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).