3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

C12H24O2 — CID 162020568

IUPAC3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC(C)(C)OCC1(C(C)(C)C)COC1
InChIInChI=1S/C12H24O2/c1-10(2,3)12(7-13-8-12)9-14-11(4,5)6/h7-9H2,1-6H3
InChIKeyLTPPFRGAXMADNT-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.86
Rot. Bonds2

About 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (PubChem CID 162020568) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.

Molecular Properties

Compound Name3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
PubChem CID162020568
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC(C)(C)OCC1(C(C)(C)C)COC1
InChIInChI=1S/C12H24O2/c1-10(2,3)12(7-13-8-12)9-14-11(4,5)6/h7-9H2,1-6H3
InChIKeyLTPPFRGAXMADNT-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Butoxymethyl)-3-ethyloxetane
CID 22673202
3-Ethyl-3-(2-methylpropoxymethyl)oxetane
CID 59687563
3-(3,3-Dimethylbutoxymethyl)oxetane
CID 69422503
3-(Butan-2-yloxymethyl)-3-ethyloxetane
CID 70658510
3-Tert-butyl-3-methoxyoxetane
CID 116875915
3-Ethyl-3-(propoxymethyl)oxetane
CID 20732660
2,2,3,3-Tetramethyloxetane
CID 22056720
3-(Ethoxymethyl)-3-ethyloxetane
CID 22673195
3-Methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 54100304
3-Ethyl-3-(propan-2-yloxymethyl)oxetane
CID 57853112
1-(3-Methoxy-3-methylbutoxy)-3,3-dimethylbutane
CID 58421303
2,2,3,4-Tetramethyl-3-(propoxymethyl)oxetane
CID 58640626

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The IUPAC name of 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (CID 162020568) is 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.
What is the SMILES notation for 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The canonical SMILES for 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is CC(C)(C)OCC1(C(C)(C)C)COC1.
What is the InChIKey of 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The InChIKey is LTPPFRGAXMADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2,3)12(7-13-8-12)9-14-11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane has a molecular weight of 200.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is sourced from PubChem (CID 162020568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).