oxiran-2-ylmethyl 3-methoxypropanoate

C7H12O4 — CID 88561825

IUPACoxiran-2-ylmethyl 3-methoxypropanoate
SMILESCOCCC(=O)OCC1CO1
InChIInChI=1S/C7H12O4/c1-9-3-2-7(8)11-5-6-4-10-6/h6H,2-5H2,1H3
InChIKeyFNDCXWRSMXEUOY-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.04
Rot. Bonds5

About oxiran-2-ylmethyl 3-methoxypropanoate

oxiran-2-ylmethyl 3-methoxypropanoate (PubChem CID 88561825) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is oxiran-2-ylmethyl 3-methoxypropanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 3-methoxypropanoate
PubChem CID88561825
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameoxiran-2-ylmethyl 3-methoxypropanoate
SMILESCOCCC(=O)OCC1CO1
InChIInChI=1S/C7H12O4/c1-9-3-2-7(8)11-5-6-4-10-6/h6H,2-5H2,1H3
InChIKeyFNDCXWRSMXEUOY-UHFFFAOYSA-N
XLogP-0.04
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-methoxypropanoate?
The IUPAC name of oxiran-2-ylmethyl 3-methoxypropanoate (CID 88561825) is oxiran-2-ylmethyl 3-methoxypropanoate.
What is the SMILES notation for oxiran-2-ylmethyl 3-methoxypropanoate?
The canonical SMILES for oxiran-2-ylmethyl 3-methoxypropanoate is COCCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 3-methoxypropanoate?
The InChIKey is FNDCXWRSMXEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-3-2-7(8)11-5-6-4-10-6/h6H,2-5H2,1H3.
What are the key properties of oxiran-2-ylmethyl 3-methoxypropanoate?
oxiran-2-ylmethyl 3-methoxypropanoate has a molecular weight of 160.17 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 3-methoxypropanoate is sourced from PubChem (CID 88561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).