(2S,3S)-2,3-dimethyloxetane

C5H10O — CID 76764483

IUPAC(2S,3S)-2,3-dimethyloxetane
SMILESC[C@@H]1OC[C@@H]1C
InChIInChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyCIPFOSRMMVMZPR-WHFBIAKZSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds

About (2S,3S)-2,3-dimethyloxetane

(2S,3S)-2,3-dimethyloxetane (PubChem CID 76764483) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyloxetane.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyloxetane
PubChem CID76764483
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(2S,3S)-2,3-dimethyloxetane
SMILESC[C@@H]1OC[C@@H]1C
InChIInChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyCIPFOSRMMVMZPR-WHFBIAKZSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyloxetane?
The IUPAC name of (2S,3S)-2,3-dimethyloxetane (CID 76764483) is (2S,3S)-2,3-dimethyloxetane.
What is the SMILES notation for (2S,3S)-2,3-dimethyloxetane?
The canonical SMILES for (2S,3S)-2,3-dimethyloxetane is C[C@@H]1OC[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyloxetane?
The InChIKey is CIPFOSRMMVMZPR-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyloxetane?
(2S,3S)-2,3-dimethyloxetane has a molecular weight of 86.13 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyloxetane is sourced from PubChem (CID 76764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).