(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile

C25H35NO2Si2 — CID 101163169

IUPAC(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile
SMILESCC(C)(C)[Si](OCC/C=C/C(C#N)O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2Si2/c1-25(2,3)30(23-16-9-7-10-17-23,24-18-11-8-12-19-24)27-20-14-13-15-22(21-26)28-29(4,5)6/h7-13,15-19,22H,14,20H2,1-6H3/b15-13+
InChIKeyNBACFGOOLHDXES-FYWRMAATSA-N
MW437.73 g/mol
LogP5.25
Rot. Bonds9

About (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile

(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile (PubChem CID 101163169) has the molecular formula C25H35NO2Si2 and a molecular weight of 437.73 g/mol. Its IUPAC name is (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile.

Molecular Properties

Compound Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile
PubChem CID101163169
Molecular FormulaC25H35NO2Si2
Molecular Weight437.73 g/mol
Exact Mass437.22
IUPAC Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile
SMILESCC(C)(C)[Si](OCC/C=C/C(C#N)O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2Si2/c1-25(2,3)30(23-16-9-7-10-17-23,24-18-11-8-12-19-24)27-20-14-13-15-22(21-26)28-29(4,5)6/h7-13,15-19,22H,14,20H2,1-6H3/b15-13+
InChIKeyNBACFGOOLHDXES-FYWRMAATSA-N
XLogP5.25
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.73
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
CID 11303939
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
tert-butyl-[[(E,4S)-8-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-5-en-4-yl]amino]-oxidosulfanium
CID 174082233
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile?
The IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile (CID 101163169) is (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile.
What is the SMILES notation for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile?
The canonical SMILES for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile is CC(C)(C)[Si](OCC/C=C/C(C#N)O[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile?
The InChIKey is NBACFGOOLHDXES-FYWRMAATSA-N. The full InChI is InChI=1S/C25H35NO2Si2/c1-25(2,3)30(23-16-9-7-10-17-23,24-18-11-8-12-19-24)27-20-14-13-15-22(21-26)28-29(4,5)6/h7-13,15-19,22H,14,20H2,1-6H3/b15-13+.
What are the key properties of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile?
(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile has a molecular weight of 437.73 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile is sourced from PubChem (CID 101163169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).