[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

C17H36O3Si2 — CID 134817949

IUPAC[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-14(12-13-19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h1,12-13H2,2-11H3
InChIKeyXHAZFSAFUKZLSM-UHFFFAOYSA-N
MW344.64 g/mol
LogP5.50
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate

[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (PubChem CID 134817949) has the molecular formula C17H36O3Si2 and a molecular weight of 344.64 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
PubChem CID134817949
Molecular FormulaC17H36O3Si2
Molecular Weight344.64 g/mol
Exact Mass344.22
IUPAC Name[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-14(12-13-19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h1,12-13H2,2-11H3
InChIKeyXHAZFSAFUKZLSM-UHFFFAOYSA-N
XLogP5.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.64
LogP ≤ 55.50
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 [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate (CID 134817949) is [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is C=C(CCO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
The InChIKey is XHAZFSAFUKZLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si2/c1-14(12-13-19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h1,12-13H2,2-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate?
[tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate has a molecular weight of 344.64 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutanoate is sourced from PubChem (CID 134817949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).