3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

C13H26O2 — CID 169306148

IUPAC3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC(C)(C)CC1(COC(C)(C)C)COC1
InChIInChI=1S/C13H26O2/c1-11(2,3)7-13(8-14-9-13)10-15-12(4,5)6/h7-10H2,1-6H3
InChIKeyQRFGESZZWDETFT-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.25
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (PubChem CID 169306148) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
PubChem CID169306148
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC(C)(C)CC1(COC(C)(C)C)COC1
InChIInChI=1S/C13H26O2/c1-11(2,3)7-13(8-14-9-13)10-15-12(4,5)6/h7-10H2,1-6H3
InChIKeyQRFGESZZWDETFT-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169305918
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 70929941
3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
CID 165446161
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004420
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 167387422
1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930014
N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
CID 155793897
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 176757671
CID 20529895
CID 20529895

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (CID 169306148) is 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is CC(C)(C)CC1(COC(C)(C)C)COC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The InChIKey is QRFGESZZWDETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2,3)7-13(8-14-9-13)10-15-12(4,5)6/h7-10H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane has a molecular weight of 214.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is sourced from PubChem (CID 169306148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).