2,2,4-trimethyloxetane

C6H12O — CID 537445

IUPAC2,2,4-trimethyloxetane
SMILESCC1CC(C)(C)O1
InChIInChI=1S/C6H12O/c1-5-4-6(2,3)7-5/h5H,4H2,1-3H3
InChIKeyYPGZPXRJCANRNX-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds

About 2,2,4-trimethyloxetane

2,2,4-trimethyloxetane (PubChem CID 537445) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2,2,4-trimethyloxetane.

Molecular Properties

Compound Name2,2,4-trimethyloxetane
PubChem CID537445
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2,2,4-trimethyloxetane
SMILESCC1CC(C)(C)O1
InChIInChI=1S/C6H12O/c1-5-4-6(2,3)7-5/h5H,4H2,1-3H3
InChIKeyYPGZPXRJCANRNX-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyloxetane?
The IUPAC name of 2,2,4-trimethyloxetane (CID 537445) is 2,2,4-trimethyloxetane.
What is the SMILES notation for 2,2,4-trimethyloxetane?
The canonical SMILES for 2,2,4-trimethyloxetane is CC1CC(C)(C)O1.
What is the InChIKey of 2,2,4-trimethyloxetane?
The InChIKey is YPGZPXRJCANRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-5-4-6(2,3)7-5/h5H,4H2,1-3H3.
What are the key properties of 2,2,4-trimethyloxetane?
2,2,4-trimethyloxetane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyloxetane is sourced from PubChem (CID 537445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).