(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile

C17H35NO2Si2 — CID 102246693

IUPAC(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)O/C=C\[C@](C)(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO2Si2/c1-15(2,3)21(8,9)19-13-12-17(7,14-18)20-22(10,11)16(4,5)6/h12-13H,1-11H3/b13-12-/t17-/m1/s1
InChIKeyQWSUGOMNSFHGLF-MUSGIIIZSA-N
MW341.64 g/mol
LogP5.83
Rot. Bonds5

About (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile

(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile (PubChem CID 102246693) has the molecular formula C17H35NO2Si2 and a molecular weight of 341.64 g/mol. Its IUPAC name is (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile.

Molecular Properties

Compound Name(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
PubChem CID102246693
Molecular FormulaC17H35NO2Si2
Molecular Weight341.64 g/mol
Exact Mass341.22
IUPAC Name(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)O/C=C\[C@](C)(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO2Si2/c1-15(2,3)21(8,9)19-13-12-17(7,14-18)20-22(10,11)16(4,5)6/h12-13H,1-11H3/b13-12-/t17-/m1/s1
InChIKeyQWSUGOMNSFHGLF-MUSGIIIZSA-N
XLogP5.83
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.64
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile?
The IUPAC name of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile (CID 102246693) is (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile.
What is the SMILES notation for (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile?
The canonical SMILES for (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile is CC(C)(C)[Si](C)(C)O/C=C\[C@](C)(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile?
The InChIKey is QWSUGOMNSFHGLF-MUSGIIIZSA-N. The full InChI is InChI=1S/C17H35NO2Si2/c1-15(2,3)21(8,9)19-13-12-17(7,14-18)20-22(10,11)16(4,5)6/h12-13H,1-11H3/b13-12-/t17-/m1/s1.
What are the key properties of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile?
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile has a molecular weight of 341.64 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile is sourced from PubChem (CID 102246693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).