4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one

C13H20O2 — CID 11074618

IUPAC4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\CC1(O)C=CC(=O)C1
InChIInChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-13(15)10-8-12(14)11-13/h6-8,10,15H,2-5,9,11H2,1H3/b7-6-
InChIKeyBXEIYMQCWCMXTJ-SREVYHEPSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds6

About 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one

4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one (PubChem CID 11074618) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
PubChem CID11074618
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\CC1(O)C=CC(=O)C1
InChIInChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-13(15)10-8-12(14)11-13/h6-8,10,15H,2-5,9,11H2,1H3/b7-6-
InChIKeyBXEIYMQCWCMXTJ-SREVYHEPSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

6-Hydroxy-2,6-dimethylocta-2,7-dien-4-one
CID 71379147
Litseaverticillol D
CID 6478027
Litseaverticillol E
CID 6478028
Heyneanone D
CID 71578716
Trichodenone A
CID 10396841
(5R)-5-hydroxy-4,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one
CID 14610402
(4R)-4-ethenyl-4-hydroxycyclopent-2-en-1-one
CID 10772973
4-Hydroxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
CID 130032021
(6S,7E,10S)-6-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-2,7,11-trien-4-one
CID 163024742
2,3-Dichloro-4-hydroxy-4-[(z)-2-octenyl]-2-cyclopentenone
CID 15480479
4-Hydroxy-4-methylcyclopent-2-en-1-one
CID 10678204
4-Hydroxy-4-prop-2-ynylcyclopent-2-en-1-one
CID 12115155

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one (CID 11074618) is 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one is CCCCC/C=C\CC1(O)C=CC(=O)C1.
What is the InChIKey of 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The InChIKey is BXEIYMQCWCMXTJ-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-13(15)10-8-12(14)11-13/h6-8,10,15H,2-5,9,11H2,1H3/b7-6-.
What are the key properties of 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11074618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).