5-hydroxy-2,3-dipentylcyclopent-2-en-1-one

C15H26O2 — CID 69114347

IUPAC5-hydroxy-2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)C(O)C1
InChIInChI=1S/C15H26O2/c1-3-5-7-9-12-11-14(16)15(17)13(12)10-8-6-4-2/h14,16H,3-11H2,1-2H3
InChIKeyDURQBRNIYQGSME-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.78
Rot. Bonds8

About 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one

5-hydroxy-2,3-dipentylcyclopent-2-en-1-one (PubChem CID 69114347) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-2,3-dipentylcyclopent-2-en-1-one
PubChem CID69114347
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-hydroxy-2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)C(O)C1
InChIInChI=1S/C15H26O2/c1-3-5-7-9-12-11-14(16)15(17)13(12)10-8-6-4-2/h14,16H,3-11H2,1-2H3
InChIKeyDURQBRNIYQGSME-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one (CID 69114347) is 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one is CCCCCC1=C(CCCCC)C(=O)C(O)C1.
What is the InChIKey of 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one?
The InChIKey is DURQBRNIYQGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-9-12-11-14(16)15(17)13(12)10-8-6-4-2/h14,16H,3-11H2,1-2H3.
What are the key properties of 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one?
5-hydroxy-2,3-dipentylcyclopent-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dipentylcyclopent-2-en-1-one is sourced from PubChem (CID 69114347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).