1-(2,5-diethylphenyl)decan-1-one

C20H32O — CID 65448938

IUPAC1-(2,5-diethylphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(CC)ccc1CC
InChIInChI=1S/C20H32O/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16H,4-13H2,1-3H3
InChIKeyWBKIAAQMDXHIIA-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.13
Rot. Bonds11

About 1-(2,5-diethylphenyl)decan-1-one

1-(2,5-diethylphenyl)decan-1-one (PubChem CID 65448938) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)decan-1-one.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)decan-1-one
PubChem CID65448938
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-(2,5-diethylphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(CC)ccc1CC
InChIInChI=1S/C20H32O/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16H,4-13H2,1-3H3
InChIKeyWBKIAAQMDXHIIA-UHFFFAOYSA-N
XLogP6.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.13
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

1-(3-ethylphenyl)octan-1-one
CID 115788827
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
2,5-diethylbenzoyl iodide
CID 139959906
1-[5-bromo-2-(4-bromo-2-undecanoylphenyl)phenyl]undecan-1-one
CID 69436336
propyl 2,5-diethylbenzoate
CID 22448167
ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
CID 141184815
1-[5-(bromomethyl)-2-ethylphenyl]-3-chloropropan-1-one
CID 131500040
1-(2,4,5-trimethylphenyl)nonan-1-one
CID 112698850
1-(2-ethylphenyl)pentan-1-one;pentane
CID 142147591
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)decan-1-one?
The IUPAC name of 1-(2,5-diethylphenyl)decan-1-one (CID 65448938) is 1-(2,5-diethylphenyl)decan-1-one.
What is the SMILES notation for 1-(2,5-diethylphenyl)decan-1-one?
The canonical SMILES for 1-(2,5-diethylphenyl)decan-1-one is CCCCCCCCCC(=O)c1cc(CC)ccc1CC.
What is the InChIKey of 1-(2,5-diethylphenyl)decan-1-one?
The InChIKey is WBKIAAQMDXHIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-4-7-8-9-10-11-12-13-20(21)19-16-17(5-2)14-15-18(19)6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-(2,5-diethylphenyl)decan-1-one?
1-(2,5-diethylphenyl)decan-1-one has a molecular weight of 288.48 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)decan-1-one is sourced from PubChem (CID 65448938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).