2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane

C11H22O2 — CID 171453839

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1(C)CCCCO1
InChIInChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)7-5-6-8-12-11/h5-9H2,1-4H3
InChIKeyHSFVZTCJZMCTKY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds2

About 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane

2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 171453839) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID171453839
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1(C)CCCCO1
InChIInChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)7-5-6-8-12-11/h5-9H2,1-4H3
InChIKeyHSFVZTCJZMCTKY-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyloxane
CID 12395962
Tetrahydro-2,5-dimethyl-2H-pyran-2-methanol
CID 98034
2H-Pyran-2-methanol, tetrahydro-2,5-dimethyl-, acetate
CID 256817
2,2-Dibutyl-1,4-dioxane
CID 90108833
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-yloxymethyl)oxane
CID 89707817
[2-(Methoxymethyl)oxan-2-yl]methanol
CID 21600701
[(2S)-2-(methoxymethyl)oxan-2-yl]methanol
CID 101012991
2-Butyl-2-ethyl-1,4-dioxane
CID 240150
2,2,4-trimethyltetrahydro-2H-pyran
CID 12395961
2,2,5-Trimethyloxane
CID 12541918
2,5-Dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane
CID 18720487
1-(2-Methoxyethoxy)-2,5-dimethylhexane
CID 18720488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane (CID 171453839) is 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane is CC(C)(C)OCC1(C)CCCCO1.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is HSFVZTCJZMCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)7-5-6-8-12-11/h5-9H2,1-4H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 171453839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).