methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate

C11H20O4 — CID 66436756

IUPACmethyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate
SMILESCOC(=O)C1(C)OC1(C)CC(C)(C)OC
InChIInChI=1S/C11H20O4/c1-9(2,14-6)7-10(3)11(4,15-10)8(12)13-5/h7H2,1-6H3
InChIKeyTUAWRUQJEIDRSQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds4

About methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate

methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate (PubChem CID 66436756) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate
PubChem CID66436756
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate
SMILESCOC(=O)C1(C)OC1(C)CC(C)(C)OC
InChIInChI=1S/C11H20O4/c1-9(2,14-6)7-10(3)11(4,15-10)8(12)13-5/h7H2,1-6H3
InChIKeyTUAWRUQJEIDRSQ-UHFFFAOYSA-N
XLogP1.52
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
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 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate?
The IUPAC name of methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate (CID 66436756) is methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate?
The canonical SMILES for methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate is COC(=O)C1(C)OC1(C)CC(C)(C)OC.
What is the InChIKey of methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate?
The InChIKey is TUAWRUQJEIDRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(2,14-6)7-10(3)11(4,15-10)8(12)13-5/h7H2,1-6H3.
What are the key properties of methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate?
methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate is sourced from PubChem (CID 66436756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).