2-(1-methylcyclohexyl)oxyoxane

C12H22O2 — CID 559167

IUPAC2-(1-methylcyclohexyl)oxyoxane
SMILESCC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C12H22O2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h11H,2-10H2,1H3
InChIKeyBLEDAQDUBYXYLE-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.25
Rot. Bonds2

About 2-(1-methylcyclohexyl)oxyoxane

2-(1-methylcyclohexyl)oxyoxane (PubChem CID 559167) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)oxyoxane.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)oxyoxane
PubChem CID559167
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(1-methylcyclohexyl)oxyoxane
SMILESCC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C12H22O2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h11H,2-10H2,1H3
InChIKeyBLEDAQDUBYXYLE-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylcyclopentyloxy)-tetrahydropyran
CID 559133
2,4-Dimethyl-1,3,9-trioxaspiro[5.5]undecane
CID 13501583
1-[3-[(Tetrahydro-2H-pyran-2-yl)oxy]-1-propyn-1-yl]cyclohexanol
CID 11020958
2-(cyclohexylmethoxy)tetrahydro-2H-pyran
CID 13184695
2-[(1-Ethynylcyclohexyl)oxy]tetrahydro-2H-pyran
CID 14148172
(4R,6R)-2-cyclohexyl-4,6-dimethyl-1,3-dioxane
CID 13072656
Methyl [1-[6-(oxan-2-yloxy)hex-1-ynyl]cyclohexyl] carbonate
CID 135051036
2-ethyl-6-methoxy-2,5-dimethyl-2H-3,4,5,6-tetrahydropyran
CID 5136867
10,10-Dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane
CID 3504939
2H-Pyran, 2-[(2-ethylhexyl)oxy]tetrahydro-
CID 12142819
2-Cyclohexyl-4-methyl-1,3-dioxane
CID 13693311
2-[(3-Ethylheptan-3-YL)oxy]oxane
CID 13736862

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)oxyoxane?
The IUPAC name of 2-(1-methylcyclohexyl)oxyoxane (CID 559167) is 2-(1-methylcyclohexyl)oxyoxane.
What is the SMILES notation for 2-(1-methylcyclohexyl)oxyoxane?
The canonical SMILES for 2-(1-methylcyclohexyl)oxyoxane is CC1(OC2CCCCO2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)oxyoxane?
The InChIKey is BLEDAQDUBYXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h11H,2-10H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)oxyoxane?
2-(1-methylcyclohexyl)oxyoxane has a molecular weight of 198.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)oxyoxane is sourced from PubChem (CID 559167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).