(2S,4S)-2,4-dimethyloxetane

C5H10O — CID 71357491

IUPAC(2S,4S)-2,4-dimethyloxetane
SMILESC[C@H]1C[C@H](C)O1
InChIInChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyKPPWZEMUMPFHEX-WHFBIAKZSA-N
MW86.13 g/mol
LogP1.18
Rot. Bonds

About (2S,4S)-2,4-dimethyloxetane

(2S,4S)-2,4-dimethyloxetane (PubChem CID 71357491) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyloxetane.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyloxetane
PubChem CID71357491
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(2S,4S)-2,4-dimethyloxetane
SMILESC[C@H]1C[C@H](C)O1
InChIInChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyKPPWZEMUMPFHEX-WHFBIAKZSA-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

Analyze (2S,4S)-2,4-dimethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethyloxetane?
The IUPAC name of (2S,4S)-2,4-dimethyloxetane (CID 71357491) is (2S,4S)-2,4-dimethyloxetane.
What is the SMILES notation for (2S,4S)-2,4-dimethyloxetane?
The canonical SMILES for (2S,4S)-2,4-dimethyloxetane is C[C@H]1C[C@H](C)O1.
What is the InChIKey of (2S,4S)-2,4-dimethyloxetane?
The InChIKey is KPPWZEMUMPFHEX-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyloxetane?
(2S,4S)-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 (2S,4S)-2,4-dimethyloxetane is sourced from PubChem (CID 71357491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).