1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one

C14H26O2 — CID 116747218

IUPAC1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)CC1CCCC1
InChIInChI=1S/C14H26O2/c1-4-14(5-2,16-6-3)13(15)11-12-9-7-8-10-12/h12H,4-11H2,1-3H3
InChIKeyJEFHPSUMYUPQAB-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds7

About 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one

1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one (PubChem CID 116747218) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
PubChem CID116747218
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)CC1CCCC1
InChIInChI=1S/C14H26O2/c1-4-14(5-2,16-6-3)13(15)11-12-9-7-8-10-12/h12H,4-11H2,1-3H3
InChIKeyJEFHPSUMYUPQAB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
CID 160740910
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
CID 116566140
1-cyclohexadecylpropan-2-one
CID 175123721
2,2,2-triethoxyethylcyclohexane
CID 21433417
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one?
The IUPAC name of 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one (CID 116747218) is 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one?
The canonical SMILES for 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one is CCOC(CC)(CC)C(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one?
The InChIKey is JEFHPSUMYUPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(5-2,16-6-3)13(15)11-12-9-7-8-10-12/h12H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one?
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one is sourced from PubChem (CID 116747218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).