3-decyl-2-hydroxycyclopent-2-en-1-one

C15H26O2 — CID 11644377

IUPAC3-decyl-2-hydroxycyclopent-2-en-1-one
SMILESCCCCCCCCCCC1=C(O)C(=O)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15(13)17/h17H,2-12H2,1H3
InChIKeyFPFSGDXIBUDDKZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.69
Rot. Bonds9

About 3-decyl-2-hydroxycyclopent-2-en-1-one

3-decyl-2-hydroxycyclopent-2-en-1-one (PubChem CID 11644377) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-decyl-2-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-decyl-2-hydroxycyclopent-2-en-1-one
PubChem CID11644377
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-decyl-2-hydroxycyclopent-2-en-1-one
SMILESCCCCCCCCCCC1=C(O)C(=O)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15(13)17/h17H,2-12H2,1H3
InChIKeyFPFSGDXIBUDDKZ-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.69
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

2,3-dipentylcyclopent-2-en-1-one
CID 70016136
2-diethoxyphosphoryl-3-octylcyclopent-2-en-1-one
CID 102131373
1,2-dihexylcyclohexene
CID 19795043
4-butyl-5-hydroxy-2,3-dihydropyran-6-one
CID 71321621
1,2-diheptylcyclopropene
CID 557048
3-butyl-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one
CID 10421579
1-butyl-2-hexylcyclopropene
CID 134897823
methyl 2-butyl-5-oxocyclopentene-1-carboxylate
CID 10058509
3-hydroxy-2-pentylcyclohex-2-en-1-one
CID 70170609
(1Z)-1,2-dipentylcyclononene
CID 134981785
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416

Frequently Asked Questions

What is the IUPAC name of 3-decyl-2-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-decyl-2-hydroxycyclopent-2-en-1-one (CID 11644377) is 3-decyl-2-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-decyl-2-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-decyl-2-hydroxycyclopent-2-en-1-one is CCCCCCCCCCC1=C(O)C(=O)CC1.
What is the InChIKey of 3-decyl-2-hydroxycyclopent-2-en-1-one?
The InChIKey is FPFSGDXIBUDDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15(13)17/h17H,2-12H2,1H3.
What are the key properties of 3-decyl-2-hydroxycyclopent-2-en-1-one?
3-decyl-2-hydroxycyclopent-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 11644377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).