4-hydroxy-2-octylcyclopent-2-en-1-one

C13H22O2 — CID 11321783

IUPAC4-hydroxy-2-octylcyclopent-2-en-1-one
SMILESCCCCCCCCC1=CC(O)CC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h9,12,14H,2-8,10H2,1H3
InChIKeyILTIRNBPADTGNC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds7

About 4-hydroxy-2-octylcyclopent-2-en-1-one

4-hydroxy-2-octylcyclopent-2-en-1-one (PubChem CID 11321783) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-hydroxy-2-octylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-octylcyclopent-2-en-1-one
PubChem CID11321783
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-hydroxy-2-octylcyclopent-2-en-1-one
SMILESCCCCCCCCC1=CC(O)CC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h9,12,14H,2-8,10H2,1H3
InChIKeyILTIRNBPADTGNC-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
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

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
CID 11083
Cinerolon
CID 5374041
2-(Hydroxymethyl)cyclohex-2-en-1-one
CID 11029845
(4S)-4-Hydroxy-3-methyl-2-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-one
CID 11789781
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
(3R,4E,6R,7S)-3,6-dihydroxy-4-methyl-10-methylidene-7-propan-2-ylcyclodec-4-en-1-one
CID 11368769
Norprostol
CID 3912664
(Z,S)-cinerolone
CID 13074022
2-Cyclohexen-1-one, 2-[(S)-cyclohexylhydroxymethyl]-
CID 12120385
Dihydroterrein
CID 11040921
Spiromastixin
CID 170990064

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-octylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2-octylcyclopent-2-en-1-one (CID 11321783) is 4-hydroxy-2-octylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-octylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-octylcyclopent-2-en-1-one is CCCCCCCCC1=CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-2-octylcyclopent-2-en-1-one?
The InChIKey is ILTIRNBPADTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h9,12,14H,2-8,10H2,1H3.
What are the key properties of 4-hydroxy-2-octylcyclopent-2-en-1-one?
4-hydroxy-2-octylcyclopent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-octylcyclopent-2-en-1-one is sourced from PubChem (CID 11321783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).