[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate

C17H36O4Si2 — CID 91696664

IUPAC[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate
SMILESCCO/C(=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-12-19-15(21-23(10,11)17(5,6)7)13-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3/b15-13-
InChIKeyOBEMFPXDVCYZHW-SQFISAMPSA-N
MW360.64 g/mol
LogP5.43
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate

[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate (PubChem CID 91696664) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate
PubChem CID91696664
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate
SMILESCCO/C(=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-12-19-15(21-23(10,11)17(5,6)7)13-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3/b15-13-
InChIKeyOBEMFPXDVCYZHW-SQFISAMPSA-N
XLogP5.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate (CID 91696664) is [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate is CCO/C(=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate?
The InChIKey is OBEMFPXDVCYZHW-SQFISAMPSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-12-19-15(21-23(10,11)17(5,6)7)13-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3/b15-13-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate?
[tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate has a molecular weight of 360.64 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyprop-2-enoate is sourced from PubChem (CID 91696664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).