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

C14H28O2 — CID 169305918

IUPAC3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESC[C@H](C(C)(C)C)C1(COC(C)(C)C)COC1
InChIInChI=1S/C14H28O2/c1-11(12(2,3)4)14(8-15-9-14)10-16-13(5,6)7/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyIJIIKDVBMUQCSD-LLVKDONJSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds3

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

3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (PubChem CID 169305918) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.

Molecular Properties

Compound Name3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
PubChem CID169305918
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESC[C@H](C(C)(C)C)C1(COC(C)(C)C)COC1
InChIInChI=1S/C14H28O2/c1-11(12(2,3)4)14(8-15-9-14)10-16-13(5,6)7/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyIJIIKDVBMUQCSD-LLVKDONJSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169306148
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 176757671
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide
CID 170339549
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
CID 116959550
2-(3-tert-butyloxetan-3-yl)-3-methylbutan-1-ol
CID 116875372
8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170389859

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The IUPAC name of 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (CID 169305918) is 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.
What is the SMILES notation for 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The canonical SMILES for 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is C[C@H](C(C)(C)C)C1(COC(C)(C)C)COC1.
What is the InChIKey of 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The InChIKey is IJIIKDVBMUQCSD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(12(2,3)4)14(8-15-9-14)10-16-13(5,6)7/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane has a molecular weight of 228.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is sourced from PubChem (CID 169305918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).