2,3-dipentylcyclopent-2-en-1-one

C15H26O — CID 70016136

IUPAC2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)CC1
InChIInChI=1S/C15H26O/c1-3-5-7-9-13-11-12-15(16)14(13)10-8-6-4-2/h3-12H2,1-2H3
InChIKeyQYZHFVLPSHAADR-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.81
Rot. Bonds8

About 2,3-dipentylcyclopent-2-en-1-one

2,3-dipentylcyclopent-2-en-1-one (PubChem CID 70016136) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,3-dipentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dipentylcyclopent-2-en-1-one
PubChem CID70016136
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)CC1
InChIInChI=1S/C15H26O/c1-3-5-7-9-13-11-12-15(16)14(13)10-8-6-4-2/h3-12H2,1-2H3
InChIKeyQYZHFVLPSHAADR-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-2-hydroxycyclopent-2-en-1-one
CID 11644377
3-ethenyl-2-pentylcyclopent-2-en-1-one
CID 14411905
3-hydroxy-2-pentylcyclohex-2-en-1-one
CID 70170609
2-diethoxyphosphoryl-3-octylcyclopent-2-en-1-one
CID 102131373
(1Z)-1,2-dipentylcyclononene
CID 134981785
1,2-dihexylcyclohexene
CID 19795043
1,2-diheptylcyclopropene
CID 557048
3-butyl-2-[5-(2-butyl-5-oxocyclopenten-1-yl)thiophen-2-yl]cyclopent-2-en-1-one
CID 10937197
methyl 2-butyl-5-oxocyclopentene-1-carboxylate
CID 10058509
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
1-butyl-2-hexylcyclopropene
CID 134897823
(Z)-7-[5-oxo-2-(3-oxooctyl)cyclopenten-1-yl]hept-5-enoic acid
CID 171119777

Frequently Asked Questions

What is the IUPAC name of 2,3-dipentylcyclopent-2-en-1-one?
The IUPAC name of 2,3-dipentylcyclopent-2-en-1-one (CID 70016136) is 2,3-dipentylcyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dipentylcyclopent-2-en-1-one?
The canonical SMILES for 2,3-dipentylcyclopent-2-en-1-one is CCCCCC1=C(CCCCC)C(=O)CC1.
What is the InChIKey of 2,3-dipentylcyclopent-2-en-1-one?
The InChIKey is QYZHFVLPSHAADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-7-9-13-11-12-15(16)14(13)10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 2,3-dipentylcyclopent-2-en-1-one?
2,3-dipentylcyclopent-2-en-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipentylcyclopent-2-en-1-one is sourced from PubChem (CID 70016136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).