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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Related Compounds

Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 10014732
methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637853
Methyl 2-(((tert-butyldimethylsilyl)oxy)methyl)acrylate
CID 23252672
ethyl (2Z)-2-(ethoxymethylidene)-4,4-difluoro-3-trimethylsilyloxybutanoate
CID 142415919
Ethyl (z)-3-ethoxy-2-((triisopropylsilyl)methylene)butanoate
CID 164666861
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
CID 9994185
Methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
CID 10968942
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
CID 11448683
1-O-ethyl 4-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutanedioate
CID 101356968
Ethyl 2-methylidene-3-trimethylsilylperoxybutanoate
CID 10036935
ethyl 2-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 11108029
Ethyl 2-(((tert-butyldimethylsilyl)oxy)methyl)acrylate
CID 11276617

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).