3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane

C11H22O2 — CID 171453937

IUPAC3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC1(COC(C)(C)C)CCCOC1
InChIInChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)6-5-7-12-8-11/h5-9H2,1-4H3
InChIKeyKWDVXJAIKCHGQJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds2

About 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane

3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 171453937) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID171453937
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC1(COC(C)(C)C)CCCOC1
InChIInChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)6-5-7-12-8-11/h5-9H2,1-4H3
InChIKeyKWDVXJAIKCHGQJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
methanidyl-[(3-methyloxan-3-yl)methyl]azanium
CID 155624871
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 114113575
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169306148
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
3-(1,1-difluoroethyl)-3-fluorooxane;difluoromethane;fluoromethane;methane
CID 160526377
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane (CID 171453937) is 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane is CC1(COC(C)(C)C)CCCOC1.
What is the InChIKey of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is KWDVXJAIKCHGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2,3)13-9-11(4)6-5-7-12-8-11/h5-9H2,1-4H3.
What are the key properties of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane?
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 171453937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).