2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one

C13H22O3 — CID 71323020

IUPAC2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
SMILESCCC1(COC2CCCCO2)CCCC1=O
InChIInChI=1S/C13H22O3/c1-2-13(8-5-6-11(13)14)10-16-12-7-3-4-9-15-12/h12H,2-10H2,1H3
InChIKeyWHTUQYUSDBSRGI-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds4

About 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one

2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one (PubChem CID 71323020) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
PubChem CID71323020
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one
SMILESCCC1(COC2CCCCO2)CCCC1=O
InChIInChI=1S/C13H22O3/c1-2-13(8-5-6-11(13)14)10-16-12-7-3-4-9-15-12/h12H,2-10H2,1H3
InChIKeyWHTUQYUSDBSRGI-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175776398
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2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-(2-propylpentoxy)oxane
CID 175998246
(5S,8R,9S,10R,13S,14S)-13-methyl-10-(oxan-2-yloxymethyl)-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 10339273
2-octacosoxyoxane
CID 11214102
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
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CID 14103518

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one?
The IUPAC name of 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one (CID 71323020) is 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one is CCC1(COC2CCCCO2)CCCC1=O.
What is the InChIKey of 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one?
The InChIKey is WHTUQYUSDBSRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-13(8-5-6-11(13)14)10-16-12-7-3-4-9-15-12/h12H,2-10H2,1H3.
What are the key properties of 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one?
2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(oxan-2-yloxymethyl)cyclopentan-1-one is sourced from PubChem (CID 71323020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).