oxiran-2-ylmethyl propanoate

C6H10O3 — CID 3015895

IUPACoxiran-2-ylmethyl propanoate
SMILESCCC(=O)OCC1CO1
InChIInChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3
InChIKeyQNAJAJLBHMMOJB-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds3

About oxiran-2-ylmethyl propanoate

oxiran-2-ylmethyl propanoate (PubChem CID 3015895) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is oxiran-2-ylmethyl propanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl propanoate
PubChem CID3015895
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameoxiran-2-ylmethyl propanoate
SMILESCCC(=O)OCC1CO1
InChIInChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3
InChIKeyQNAJAJLBHMMOJB-UHFFFAOYSA-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 oxiran-2-ylmethyl propanoate?
The IUPAC name of oxiran-2-ylmethyl propanoate (CID 3015895) is oxiran-2-ylmethyl propanoate.
What is the SMILES notation for oxiran-2-ylmethyl propanoate?
The canonical SMILES for oxiran-2-ylmethyl propanoate is CCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl propanoate?
The InChIKey is QNAJAJLBHMMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3.
What are the key properties of oxiran-2-ylmethyl propanoate?
oxiran-2-ylmethyl 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 oxiran-2-ylmethyl propanoate is sourced from PubChem (CID 3015895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).