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

C18H37NO2Si2 — CID 102246695

IUPAC(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
SMILESCC[C@](C#N)(/C=C\O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO2Si2/c1-12-18(15-19,21-23(10,11)17(5,6)7)13-14-20-22(8,9)16(2,3)4/h13-14H,12H2,1-11H3/b14-13-/t18-/m1/s1
InChIKeyGYDLOEVQQCJSBQ-SWNWVQGVSA-N
MW355.67 g/mol
LogP6.22
Rot. Bonds6

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

(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile (PubChem CID 102246695) has the molecular formula C18H37NO2Si2 and a molecular weight of 355.67 g/mol. Its IUPAC name is (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile.

Molecular Properties

Compound Name(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
PubChem CID102246695
Molecular FormulaC18H37NO2Si2
Molecular Weight355.67 g/mol
Exact Mass355.24
IUPAC Name(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
SMILESCC[C@](C#N)(/C=C\O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO2Si2/c1-12-18(15-19,21-23(10,11)17(5,6)7)13-14-20-22(8,9)16(2,3)4/h13-14H,12H2,1-11H3/b14-13-/t18-/m1/s1
InChIKeyGYDLOEVQQCJSBQ-SWNWVQGVSA-N
XLogP6.22
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.67
LogP ≤ 56.22
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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Related Compounds

(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
CID 102246693
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile
CID 14643781
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006
tert-butyl-dimethyl-[(1E,3E)-4-morpholin-4-ylbuta-1,3-dienoxy]silane
CID 101391276
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
tert-butyl-dimethyl-[4,4,4-tris(trimethylsilyl)but-1-enoxy]silane
CID 73443150
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylethenamine
CID 59793232
1-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]cycloheptane-1-carbonitrile
CID 101262100

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile?
The IUPAC name of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile (CID 102246695) is (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile.
What is the SMILES notation for (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile?
The canonical SMILES for (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile is CC[C@](C#N)(/C=C\O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile?
The InChIKey is GYDLOEVQQCJSBQ-SWNWVQGVSA-N. The full InChI is InChI=1S/C18H37NO2Si2/c1-12-18(15-19,21-23(10,11)17(5,6)7)13-14-20-22(8,9)16(2,3)4/h13-14H,12H2,1-11H3/b14-13-/t18-/m1/s1.
What are the key properties of (Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile?
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile has a molecular weight of 355.67 g/mol, XLogP of 6.22, 6 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-ethylbut-3-enenitrile is sourced from PubChem (CID 102246695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).