methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate

C11H20O4 — CID 165447840

IUPACmethyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate
SMILESCCC1(C(=O)OC)OC1(COC)C(C)C
InChIInChI=1S/C11H20O4/c1-6-10(9(12)14-5)11(15-10,7-13-4)8(2)3/h8H,6-7H2,1-5H3
InChIKeyHCZXJVYFQAERDS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.38
Rot. Bonds5

About methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate

methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate (PubChem CID 165447840) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate
PubChem CID165447840
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate
SMILESCCC1(C(=O)OC)OC1(COC)C(C)C
InChIInChI=1S/C11H20O4/c1-6-10(9(12)14-5)11(15-10,7-13-4)8(2)3/h8H,6-7H2,1-5H3
InChIKeyHCZXJVYFQAERDS-UHFFFAOYSA-N
XLogP1.38
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.38
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 methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate?
The IUPAC name of methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate (CID 165447840) is methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate is CCC1(C(=O)OC)OC1(COC)C(C)C.
What is the InChIKey of methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate?
The InChIKey is HCZXJVYFQAERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-10(9(12)14-5)11(15-10,7-13-4)8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate?
methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-(methoxymethyl)-3-propan-2-yloxirane-2-carboxylate is sourced from PubChem (CID 165447840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).