3-methyl-3-propan-2-yloxetane

C7H14O — CID 529321

IUPAC3-methyl-3-propan-2-yloxetane
SMILESCC(C)C1(C)COC1
InChIInChI=1S/C7H14O/c1-6(2)7(3)4-8-5-7/h6H,4-5H2,1-3H3
InChIKeyDESPTAAIBOOLQX-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.68
Rot. Bonds1

About 3-methyl-3-propan-2-yloxetane

3-methyl-3-propan-2-yloxetane (PubChem CID 529321) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-methyl-3-propan-2-yloxetane
PubChem CID529321
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-methyl-3-propan-2-yloxetane
SMILESCC(C)C1(C)COC1
InChIInChI=1S/C7H14O/c1-6(2)7(3)4-8-5-7/h6H,4-5H2,1-3H3
InChIKeyDESPTAAIBOOLQX-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxetane, 3-(1-methylethyl)-
CID 543882
Oxetane, 3-ethyl-3-methyl
CID 520761
3-(Iodomethyl)-3-(propan-2-yl)oxetane
CID 84701766
3-Tertbutyl oxetane
CID 57869404
3-Propan-2-yl-3-(trifluoromethyl)oxetane
CID 117550907
3-Tert-butyl-3-fluorooxetane
CID 122426797
3-Tert-butyl-2,2-difluorooxetane
CID 126763945
3-Tert-butyl-2,3-difluorooxetane
CID 126763947
3-Tert-butyl-2-fluorooxetane
CID 126763949
3-(Fluoromethyl)-3-propan-2-yloxetane
CID 146952673
3-(Difluoromethyl)-3-propan-2-yloxetane
CID 166573211
3-Tert-butyl-3-(fluoromethyl)oxetane
CID 169031998

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yloxetane?
The IUPAC name of 3-methyl-3-propan-2-yloxetane (CID 529321) is 3-methyl-3-propan-2-yloxetane.
What is the SMILES notation for 3-methyl-3-propan-2-yloxetane?
The canonical SMILES for 3-methyl-3-propan-2-yloxetane is CC(C)C1(C)COC1.
What is the InChIKey of 3-methyl-3-propan-2-yloxetane?
The InChIKey is DESPTAAIBOOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)7(3)4-8-5-7/h6H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yloxetane?
3-methyl-3-propan-2-yloxetane has a molecular weight of 114.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yloxetane is sourced from PubChem (CID 529321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).