3-tert-butyl-2-methyloxetane

C8H16O — CID 14876783

IUPAC3-tert-butyl-2-methyloxetane
SMILESCC1OCC1C(C)(C)C
InChIInChI=1S/C8H16O/c1-6-7(5-9-6)8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyZFGGCELXHHGSMW-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds

About 3-tert-butyl-2-methyloxetane

3-tert-butyl-2-methyloxetane (PubChem CID 14876783) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-tert-butyl-2-methyloxetane.

Molecular Properties

Compound Name3-tert-butyl-2-methyloxetane
PubChem CID14876783
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-tert-butyl-2-methyloxetane
SMILESCC1OCC1C(C)(C)C
InChIInChI=1S/C8H16O/c1-6-7(5-9-6)8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyZFGGCELXHHGSMW-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyloxetane?
The IUPAC name of 3-tert-butyl-2-methyloxetane (CID 14876783) is 3-tert-butyl-2-methyloxetane.
What is the SMILES notation for 3-tert-butyl-2-methyloxetane?
The canonical SMILES for 3-tert-butyl-2-methyloxetane is CC1OCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyloxetane?
The InChIKey is ZFGGCELXHHGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6-7(5-9-6)8(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyloxetane?
3-tert-butyl-2-methyloxetane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyloxetane is sourced from PubChem (CID 14876783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).