3-methyl-3-propyloxetane

C7H14O — CID 529341

IUPAC3-methyl-3-propyloxetane
SMILESCCCC1(C)COC1
InChIInChI=1S/C7H14O/c1-3-4-7(2)5-8-6-7/h3-6H2,1-2H3
InChIKeyVMDLIHFPTHBGRM-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-3-propyloxetane

3-methyl-3-propyloxetane (PubChem CID 529341) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-methyl-3-propyloxetane.

Molecular Properties

Compound Name3-methyl-3-propyloxetane
PubChem CID529341
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-methyl-3-propyloxetane
SMILESCCCC1(C)COC1
InChIInChI=1S/C7H14O/c1-3-4-7(2)5-8-6-7/h3-6H2,1-2H3
InChIKeyVMDLIHFPTHBGRM-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propyloxetane?
The IUPAC name of 3-methyl-3-propyloxetane (CID 529341) is 3-methyl-3-propyloxetane.
What is the SMILES notation for 3-methyl-3-propyloxetane?
The canonical SMILES for 3-methyl-3-propyloxetane is CCCC1(C)COC1.
What is the InChIKey of 3-methyl-3-propyloxetane?
The InChIKey is VMDLIHFPTHBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-7(2)5-8-6-7/h3-6H2,1-2H3.
What are the key properties of 3-methyl-3-propyloxetane?
3-methyl-3-propyloxetane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propyloxetane is sourced from PubChem (CID 529341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).