3-ethyl-1-naphthalen-1-ylpentan-1-one

C17H20O — CID 82920782

IUPAC3-ethyl-1-naphthalen-1-ylpentan-1-one
SMILESCCC(CC)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-3-13(4-2)12-17(18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyZRNYNXXSXDDWFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.85
Rot. Bonds5

About 3-ethyl-1-naphthalen-1-ylpentan-1-one

3-ethyl-1-naphthalen-1-ylpentan-1-one (PubChem CID 82920782) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-1-naphthalen-1-ylpentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-naphthalen-1-ylpentan-1-one
PubChem CID82920782
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-ethyl-1-naphthalen-1-ylpentan-1-one
SMILESCCC(CC)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-3-13(4-2)12-17(18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyZRNYNXXSXDDWFC-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
(3R,4R)-1-naphthalen-1-yl-4-nitro-3-phenylhexan-1-one
CID 12754751
2-(hydroxymethyl)-1-naphthalen-1-ylbutan-1-one
CID 116923135
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
1-naphthalen-1-yldodecan-1-one
CID 3424169
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
3-ethyl-1-quinolin-5-ylheptan-1-one
CID 105082043
3-(aminomethyl)-1-(1-benzothiophen-7-yl)pentan-1-one
CID 116596251

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-naphthalen-1-ylpentan-1-one?
The IUPAC name of 3-ethyl-1-naphthalen-1-ylpentan-1-one (CID 82920782) is 3-ethyl-1-naphthalen-1-ylpentan-1-one.
What is the SMILES notation for 3-ethyl-1-naphthalen-1-ylpentan-1-one?
The canonical SMILES for 3-ethyl-1-naphthalen-1-ylpentan-1-one is CCC(CC)CC(=O)c1cccc2ccccc12.
What is the InChIKey of 3-ethyl-1-naphthalen-1-ylpentan-1-one?
The InChIKey is ZRNYNXXSXDDWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-13(4-2)12-17(18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 3-ethyl-1-naphthalen-1-ylpentan-1-one?
3-ethyl-1-naphthalen-1-ylpentan-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-naphthalen-1-ylpentan-1-one is sourced from PubChem (CID 82920782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).