ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate

C14H18O6 — CID 86623600

IUPACethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(OCOC)ccc1OCC1CO1
InChIInChI=1S/C14H18O6/c1-3-17-14(15)12-6-10(20-9-16-2)4-5-13(12)19-8-11-7-18-11/h4-6,11H,3,7-9H2,1-2H3
InChIKeyRSGRNMRZFYSLFH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.62
Rot. Bonds8

About ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate

ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate (PubChem CID 86623600) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate
PubChem CID86623600
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Nameethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(OCOC)ccc1OCC1CO1
InChIInChI=1S/C14H18O6/c1-3-17-14(15)12-6-10(20-9-16-2)4-5-13(12)19-8-11-7-18-11/h4-6,11H,3,7-9H2,1-2H3
InChIKeyRSGRNMRZFYSLFH-UHFFFAOYSA-N
XLogP1.62
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate?
The IUPAC name of ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate (CID 86623600) is ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate?
The canonical SMILES for ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate is CCOC(=O)c1cc(OCOC)ccc1OCC1CO1.
What is the InChIKey of ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate?
The InChIKey is RSGRNMRZFYSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-3-17-14(15)12-6-10(20-9-16-2)4-5-13(12)19-8-11-7-18-11/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate?
ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate has a molecular weight of 282.29 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate is sourced from PubChem (CID 86623600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).