2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one

C19H32O — CID 86058900

IUPAC2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
SMILESCCCCC1=C(CCCC)C(CCC)=C(CCC)C1=O
InChIInChI=1S/C19H32O/c1-5-9-13-16-15(11-7-3)17(12-8-4)19(20)18(16)14-10-6-2/h5-14H2,1-4H3
InChIKeyUNNSNSSHDUELFK-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.14
Rot. Bonds10

About 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one

2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one (PubChem CID 86058900) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
PubChem CID86058900
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
SMILESCCCCC1=C(CCCC)C(CCC)=C(CCC)C1=O
InChIInChI=1S/C19H32O/c1-5-9-13-16-15(11-7-3)17(12-8-4)19(20)18(16)14-10-6-2/h5-14H2,1-4H3
InChIKeyUNNSNSSHDUELFK-UHFFFAOYSA-N
XLogP6.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dibutylinden-1-one
CID 10657817
2,3,5-tributylcyclohexa-2,5-diene-1,4-dione
CID 141075230
2,3-dibutylcyclohexa-2,5-diene-1,4-dione
CID 18356690
2-(hydroxymethyl)-3,5-dimethyl-6-undecylcyclohexa-2,5-dien-1-one
CID 70336436
3,4-dioctyl-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one
CID 101003600
3-methyl-4-octylfuran-2,5-dione
CID 71750494
2-(bromomethyl)-3-decyl-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 150014238
2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
2-butyl-3,6,7-trimethylnaphthalene-1,4-dione
CID 66728219
2,5-dibromo-3-heptyl-6-methylcyclohexa-2,5-diene-1,4-dione
CID 15632229
2-[(3-butyl-1,4-dioxonaphthalen-2-yl)methyl]-3-methylnaphthalene-1,4-dione
CID 122393317
2,3-dibutyl-4-hydroxycyclobut-2-en-1-one
CID 15723252

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one (CID 86058900) is 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one is CCCCC1=C(CCCC)C(CCC)=C(CCC)C1=O.
What is the InChIKey of 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one?
The InChIKey is UNNSNSSHDUELFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-5-9-13-16-15(11-7-3)17(12-8-4)19(20)18(16)14-10-6-2/h5-14H2,1-4H3.
What are the key properties of 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one?
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one has a molecular weight of 276.46 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 86058900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).