2,4-dimethyloxetane

C5H10O — CID 535623

IUPAC2,4-dimethyloxetane
SMILESCC1CC(C)O1
InChIInChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3
InChIKeyKPPWZEMUMPFHEX-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.18
Rot. Bonds

About 2,4-dimethyloxetane

2,4-dimethyloxetane (PubChem CID 535623) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 2,4-dimethyloxetane.

Molecular Properties

Compound Name2,4-dimethyloxetane
PubChem CID535623
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2,4-dimethyloxetane
SMILESCC1CC(C)O1
InChIInChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3
InChIKeyKPPWZEMUMPFHEX-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxetane?
The IUPAC name of 2,4-dimethyloxetane (CID 535623) is 2,4-dimethyloxetane.
What is the SMILES notation for 2,4-dimethyloxetane?
The canonical SMILES for 2,4-dimethyloxetane is CC1CC(C)O1.
What is the InChIKey of 2,4-dimethyloxetane?
The InChIKey is KPPWZEMUMPFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-dimethyloxetane?
2,4-dimethyloxetane has a molecular weight of 86.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxetane is sourced from PubChem (CID 535623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).