(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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Related Compounds

(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
(2R,3S)-2-(2-chloroethyl)-3-methyloxirane
CID 55302977
2-(3-fluorohexyl)-3-methyloxirane
CID 152684716
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-(chloromethyl)-3-propyloxirane
CID 18324215
(2S,3R)-2-(bromomethyl)-3-propyloxirane
CID 11073978
(3R)-3,5-dimethyl-2-propyloxolane;ethane
CID 156747522
2-(5-ethylicosyl)-3-methyloxirane
CID 123198563
4-(3-methyloxiran-2-yl)butan-1-ol
CID 78061646

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).