(2R,3R)-2-ethyl-3-methyloxirane

C5H10O — CID 6427093

IUPAC(2R,3R)-2-ethyl-3-methyloxirane
SMILESCC[C@H]1O[C@@H]1C
InChIInChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyBCJPEZMFAKOJPM-RFZPGFLSSA-N
MW86.13 g/mol
LogP1.18
Rot. Bonds1

About (2R,3R)-2-ethyl-3-methyloxirane

(2R,3R)-2-ethyl-3-methyloxirane (PubChem CID 6427093) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-methyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-methyloxirane
PubChem CID6427093
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(2R,3R)-2-ethyl-3-methyloxirane
SMILESCC[C@H]1O[C@@H]1C
InChIInChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyBCJPEZMFAKOJPM-RFZPGFLSSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

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 (2R,3R)-2-ethyl-3-methyloxirane?
The IUPAC name of (2R,3R)-2-ethyl-3-methyloxirane (CID 6427093) is (2R,3R)-2-ethyl-3-methyloxirane.
What is the SMILES notation for (2R,3R)-2-ethyl-3-methyloxirane?
The canonical SMILES for (2R,3R)-2-ethyl-3-methyloxirane is CC[C@H]1O[C@@H]1C.
What is the InChIKey of (2R,3R)-2-ethyl-3-methyloxirane?
The InChIKey is BCJPEZMFAKOJPM-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-methyloxirane?
(2R,3R)-2-ethyl-3-methyloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-methyloxirane is sourced from PubChem (CID 6427093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).