2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate

C11H20O3 — CID 155484065

IUPAC2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate
SMILESCCC(C)(C)OC(=O)C(C)CC1CO1
InChIInChI=1S/C11H20O3/c1-5-11(3,4)14-10(12)8(2)6-9-7-13-9/h8-9H,5-7H2,1-4H3
InChIKeyGXTKLKZBFSIONL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate

2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate (PubChem CID 155484065) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate
PubChem CID155484065
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate
SMILESCCC(C)(C)OC(=O)C(C)CC1CO1
InChIInChI=1S/C11H20O3/c1-5-11(3,4)14-10(12)8(2)6-9-7-13-9/h8-9H,5-7H2,1-4H3
InChIKeyGXTKLKZBFSIONL-UHFFFAOYSA-N
XLogP2.14
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
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 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate?
The IUPAC name of 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate (CID 155484065) is 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate.
What is the SMILES notation for 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate?
The canonical SMILES for 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate is CCC(C)(C)OC(=O)C(C)CC1CO1.
What is the InChIKey of 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate?
The InChIKey is GXTKLKZBFSIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11(3,4)14-10(12)8(2)6-9-7-13-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate?
2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate is sourced from PubChem (CID 155484065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).