5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one

C13H20O2 — CID 70452467

IUPAC5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one
SMILESCCCCCC=C(C)C1(O)CC=CC1=O
InChIInChI=1S/C13H20O2/c1-3-4-5-6-8-11(2)13(15)10-7-9-12(13)14/h7-9,15H,3-6,10H2,1-2H3
InChIKeyHNKNISTUSQYDHQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds5

About 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one

5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one (PubChem CID 70452467) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one
PubChem CID70452467
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one
SMILESCCCCCC=C(C)C1(O)CC=CC1=O
InChIInChI=1S/C13H20O2/c1-3-4-5-6-8-11(2)13(15)10-7-9-12(13)14/h7-9,15H,3-6,10H2,1-2H3
InChIKeyHNKNISTUSQYDHQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.77
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 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one (CID 70452467) is 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one is CCCCCC=C(C)C1(O)CC=CC1=O.
What is the InChIKey of 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one?
The InChIKey is HNKNISTUSQYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-6-8-11(2)13(15)10-7-9-12(13)14/h7-9,15H,3-6,10H2,1-2H3.
What are the key properties of 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one?
5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-oct-2-en-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 70452467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).