[(2R)-oxiran-2-yl]methyl propanoate

C6H10O3 — CID 10866361

IUPAC[(2R)-oxiran-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CO1
InChIInChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyQNAJAJLBHMMOJB-RXMQYKEDSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds3

About [(2R)-oxiran-2-yl]methyl propanoate

[(2R)-oxiran-2-yl]methyl propanoate (PubChem CID 10866361) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(2R)-oxiran-2-yl]methyl propanoate.

Molecular Properties

Compound Name[(2R)-oxiran-2-yl]methyl propanoate
PubChem CID10866361
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(2R)-oxiran-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CO1
InChIInChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyQNAJAJLBHMMOJB-RXMQYKEDSA-N
XLogP0.34
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
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 [(2R)-oxiran-2-yl]methyl propanoate?
The IUPAC name of [(2R)-oxiran-2-yl]methyl propanoate (CID 10866361) is [(2R)-oxiran-2-yl]methyl propanoate.
What is the SMILES notation for [(2R)-oxiran-2-yl]methyl propanoate?
The canonical SMILES for [(2R)-oxiran-2-yl]methyl propanoate is CCC(=O)OC[C@H]1CO1.
What is the InChIKey of [(2R)-oxiran-2-yl]methyl propanoate?
The InChIKey is QNAJAJLBHMMOJB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of [(2R)-oxiran-2-yl]methyl propanoate?
[(2R)-oxiran-2-yl]methyl propanoate has a molecular weight of 130.14 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxiran-2-yl]methyl propanoate is sourced from PubChem (CID 10866361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).