(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile

C16H33NO2Si2 — CID 101444805

IUPAC(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#N)/C=C(\O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si2/c1-15(2,3)20(7,8)14(18)11-13(12-17)19-21(9,10)16(4,5)6/h11,13,18H,1-10H3/b14-11+/t13-/m0/s1
InChIKeyQGMSFSJPVVXVMB-UQRISPGASA-N
MW327.62 g/mol
LogP5.39
Rot. Bonds4

About (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile

(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile (PubChem CID 101444805) has the molecular formula C16H33NO2Si2 and a molecular weight of 327.62 g/mol. Its IUPAC name is (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile.

Molecular Properties

Compound Name(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
PubChem CID101444805
Molecular FormulaC16H33NO2Si2
Molecular Weight327.62 g/mol
Exact Mass327.20
IUPAC Name(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#N)/C=C(\O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si2/c1-15(2,3)20(7,8)14(18)11-13(12-17)19-21(9,10)16(4,5)6/h11,13,18H,1-10H3/b14-11+/t13-/m0/s1
InChIKeyQGMSFSJPVVXVMB-UQRISPGASA-N
XLogP5.39
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
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

(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile
CID 101051208
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
CID 10514274
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006

Frequently Asked Questions

What is the IUPAC name of (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile?
The IUPAC name of (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile (CID 101444805) is (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile.
What is the SMILES notation for (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile?
The canonical SMILES for (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile is CC(C)(C)[Si](C)(C)O[C@H](C#N)/C=C(\O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile?
The InChIKey is QGMSFSJPVVXVMB-UQRISPGASA-N. The full InChI is InChI=1S/C16H33NO2Si2/c1-15(2,3)20(7,8)14(18)11-13(12-17)19-21(9,10)16(4,5)6/h11,13,18H,1-10H3/b14-11+/t13-/m0/s1.
What are the key properties of (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile?
(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile has a molecular weight of 327.62 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile is sourced from PubChem (CID 101444805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).