2,4-dibutylcyclopent-2-en-1-one

C13H22O — CID 15110256

IUPAC2,4-dibutylcyclopent-2-en-1-one
SMILESCCCCC1=CC(CCCC)CC1=O
InChIInChI=1S/C13H22O/c1-3-5-7-11-9-12(8-6-4-2)13(14)10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyDNLATXRGDSQILW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.88
Rot. Bonds6

About 2,4-dibutylcyclopent-2-en-1-one

2,4-dibutylcyclopent-2-en-1-one (PubChem CID 15110256) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,4-dibutylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,4-dibutylcyclopent-2-en-1-one
PubChem CID15110256
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,4-dibutylcyclopent-2-en-1-one
SMILESCCCCC1=CC(CCCC)CC1=O
InChIInChI=1S/C13H22O/c1-3-5-7-11-9-12(8-6-4-2)13(14)10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyDNLATXRGDSQILW-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-4-[3-(3-ethylsulfanylpropylsulfanyl)propyl]cyclopent-2-en-1-one
CID 10335819
2-butyl-4-[2-(3-ethylsulfanylpropylsulfanyl)ethyl]cyclopent-2-en-1-one
CID 10447560
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
CID 11608201
(2S,3S,4aR,8aR)-6-butyl-2,3-dimethoxy-2,3-dimethyl-8,8a-dihydro-4aH-1,4-benzodioxin-7-one
CID 11300988
4-(3-iodopropyl)-2-methylcyclopent-2-en-1-one
CID 15045930
5-butyl-2-methylcyclohex-2-en-1-one
CID 12827096
(1R,5S)-3-butylbicyclo[3.2.0]hept-3-en-6-one
CID 129409262
4,7-dibutyl-2,3-dihydroinden-1-one
CID 100968406
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
4-undecylcyclopentane-1,2-dione
CID 54303237
3-butyl-1-ethylaziridin-2-one
CID 18006250

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutylcyclopent-2-en-1-one?
The IUPAC name of 2,4-dibutylcyclopent-2-en-1-one (CID 15110256) is 2,4-dibutylcyclopent-2-en-1-one.
What is the SMILES notation for 2,4-dibutylcyclopent-2-en-1-one?
The canonical SMILES for 2,4-dibutylcyclopent-2-en-1-one is CCCCC1=CC(CCCC)CC1=O.
What is the InChIKey of 2,4-dibutylcyclopent-2-en-1-one?
The InChIKey is DNLATXRGDSQILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-5-7-11-9-12(8-6-4-2)13(14)10-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 2,4-dibutylcyclopent-2-en-1-one?
2,4-dibutylcyclopent-2-en-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutylcyclopent-2-en-1-one is sourced from PubChem (CID 15110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).