5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one

C12H18O2 — CID 15702048

IUPAC5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one
SMILESCC/C=C\CCC1C(=O)C=CC1(C)O
InChIInChI=1S/C12H18O2/c1-3-4-5-6-7-10-11(13)8-9-12(10,2)14/h4-5,8-10,14H,3,6-7H2,1-2H3/b5-4-
InChIKeyIJJVZOAAWVWBHF-PLNGDYQASA-N
MW194.27 g/mol
LogP2.24
Rot. Bonds4

About 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one

5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one (PubChem CID 15702048) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one
PubChem CID15702048
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one
SMILESCC/C=C\CCC1C(=O)C=CC1(C)O
InChIInChI=1S/C12H18O2/c1-3-4-5-6-7-10-11(13)8-9-12(10,2)14/h4-5,8-10,14H,3,6-7H2,1-2H3/b5-4-
InChIKeyIJJVZOAAWVWBHF-PLNGDYQASA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one with MolForge

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Related Compounds

(2Z,6E,10S,11E,13S)-13-hydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 24769978
Litseaverticillol D
CID 6478027
Litseaverticillol E
CID 6478028
(2E,6E,10S,11E,13S)-13-hydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 21671182
(5R)-5-hydroxy-4,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one
CID 14610402
Alterbrasone
CID 139591579
2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-
CID 5371378
2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-, (R*,R*)-(+-)-
CID 154197
5-(1-Fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one
CID 70516354
4-Hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-cyclohex-2-en-1-one
CID 579915
(4R,5S)-4-hydroxy-5-propan-2-ylcyclopent-2-en-1-one
CID 10441783
4-Hydroxy-4-(2-octynyl)-2-cyclopentenone
CID 12115156

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one (CID 15702048) is 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one is CC/C=C\CCC1C(=O)C=CC1(C)O.
What is the InChIKey of 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one?
The InChIKey is IJJVZOAAWVWBHF-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-5-6-7-10-11(13)8-9-12(10,2)14/h4-5,8-10,14H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one?
5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 15702048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).