ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

C13H26O3Si — CID 14634473

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h11H,2,9H2,1,3-8H3
InChIKeyHOGRMFQAWDEVQW-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (PubChem CID 14634473) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
PubChem CID14634473
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h11H,2,9H2,1,3-8H3
InChIKeyHOGRMFQAWDEVQW-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (CID 14634473) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is C=C(C(=O)OCC)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The InChIKey is HOGRMFQAWDEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h11H,2,9H2,1,3-8H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is sourced from PubChem (CID 14634473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).