2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one

C12H20O2 — CID 65162914

IUPAC2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCC1CCCO1
InChIInChI=1S/C12H20O2/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h10-11H,1-9H2
InChIKeyOJSJLXHSPQVTCB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one

2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one (PubChem CID 65162914) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
PubChem CID65162914
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCC1CCCO1
InChIInChI=1S/C12H20O2/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h10-11H,1-9H2
InChIKeyOJSJLXHSPQVTCB-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
2-(1,3-dioxan-2-ylmethyl)cyclohexan-1-one
CID 102370100
3-[2-(oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695
2-(4-bromobutyl)cyclohexan-1-one
CID 12628235
3-[(1S)-2-oxocyclohexyl]propanenitrile
CID 7000093
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
tert-butyl 4-oxo-3-[2-(oxolan-2-yl)ethyl]piperidine-1-carboxylate
CID 114451455
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280
3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one
CID 107382905
(2R)-2-pentylcyclohexan-1-one
CID 86310435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one (CID 65162914) is 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one is O=C1CCCCC1CCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one?
The InChIKey is OJSJLXHSPQVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h10-11H,1-9H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one?
2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 65162914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).