methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate

C7H12O3 — CID 15699951

IUPACmethyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate
SMILESCC[C@H]1O[C@@H]1CC(=O)OC
InChIInChI=1S/C7H12O3/c1-3-5-6(10-5)4-7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBMHZOKGXDUEIST-PHDIDXHHSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate

methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate (PubChem CID 15699951) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate
PubChem CID15699951
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate
SMILESCC[C@H]1O[C@@H]1CC(=O)OC
InChIInChI=1S/C7H12O3/c1-3-5-6(10-5)4-7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBMHZOKGXDUEIST-PHDIDXHHSA-N
XLogP0.73
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate (CID 15699951) is methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate is CC[C@H]1O[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate?
The InChIKey is BMHZOKGXDUEIST-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-5-6(10-5)4-7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate?
methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R)-3-ethyloxiran-2-yl]acetate is sourced from PubChem (CID 15699951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).