3,3-dimethyloxetane

C5H10O — CID 23352

IUPAC3,3-dimethyloxetane
SMILESCC1(C)COC1
InChIInChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
InChIKeyRVGLUKRYMXEQAH-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds

About 3,3-dimethyloxetane

3,3-dimethyloxetane (PubChem CID 23352) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 3,3-dimethyloxetane.

Molecular Properties

Compound Name3,3-dimethyloxetane
PubChem CID23352
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name3,3-dimethyloxetane
SMILESCC1(C)COC1
InChIInChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
InChIKeyRVGLUKRYMXEQAH-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-2,2-dimethylpropane
CID 136871
3-(Iodomethyl)-3-methyloxetane
CID 13778344
Oxetane, 3-ethyl-3-methyl
CID 520761
3-Methyloxetane
CID 529315
Sodium (3-methyloxetan-3-yl)methanolate
CID 58958837
3-(Fluoromethyl)-3-methyloxetane
CID 89526427
Oxetane, 3-(ethoxymethyl)-3-methyl-
CID 11275022
3,3-Bis(methoxymethyl)oxetane
CID 12721364
3,3-Dimethyloxetane hydrogen fluoride
CID 86038663
3,3-Dimethyloxetane hydrogen chloride
CID 129828985
3-(Methoxymethyl)-3-methyloxetane
CID 13972130
1-Methanidyloxy-2,2-dimethylpropane;yttrium
CID 58143113

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloxetane?
The IUPAC name of 3,3-dimethyloxetane (CID 23352) is 3,3-dimethyloxetane.
What is the SMILES notation for 3,3-dimethyloxetane?
The canonical SMILES for 3,3-dimethyloxetane is CC1(C)COC1.
What is the InChIKey of 3,3-dimethyloxetane?
The InChIKey is RVGLUKRYMXEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3.
What are the key properties of 3,3-dimethyloxetane?
3,3-dimethyloxetane has a molecular weight of 86.13 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxetane is sourced from PubChem (CID 23352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).