(2S,3S)-2-methyl-3-propyloxirane

C6H12O — CID 22844896

IUPAC(2S,3S)-2-methyl-3-propyloxirane
SMILESCCC[C@@H]1O[C@H]1C
InChIInChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLIESJAYIOKBLIL-WDSKDSINSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds2

About (2S,3S)-2-methyl-3-propyloxirane

(2S,3S)-2-methyl-3-propyloxirane (PubChem CID 22844896) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-propyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-propyloxirane
PubChem CID22844896
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2S,3S)-2-methyl-3-propyloxirane
SMILESCCC[C@@H]1O[C@H]1C
InChIInChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyLIESJAYIOKBLIL-WDSKDSINSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-propyloxirane?
The IUPAC name of (2S,3S)-2-methyl-3-propyloxirane (CID 22844896) is (2S,3S)-2-methyl-3-propyloxirane.
What is the SMILES notation for (2S,3S)-2-methyl-3-propyloxirane?
The canonical SMILES for (2S,3S)-2-methyl-3-propyloxirane is CCC[C@@H]1O[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-3-propyloxirane?
The InChIKey is LIESJAYIOKBLIL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-propyloxirane?
(2S,3S)-2-methyl-3-propyloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-propyloxirane is sourced from PubChem (CID 22844896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).