2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile

C19H35NOSi — CID 135070620

IUPAC2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile
SMILESCCCC(C#N)/C=C(/O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H35NOSi/c1-7-11-16(15-20)14-18(17-12-9-8-10-13-17)21-22(5,6)19(2,3)4/h14,16-17H,7-13H2,1-6H3/b18-14+
InChIKeyYRQAJEQLQXWBRQ-NBVRZTHBSA-N
MW321.58 g/mol
LogP6.41
Rot. Bonds6

About 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile

2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile (PubChem CID 135070620) has the molecular formula C19H35NOSi and a molecular weight of 321.58 g/mol. Its IUPAC name is 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile.

Molecular Properties

Compound Name2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile
PubChem CID135070620
Molecular FormulaC19H35NOSi
Molecular Weight321.58 g/mol
Exact Mass321.25
IUPAC Name2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile
SMILESCCCC(C#N)/C=C(/O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H35NOSi/c1-7-11-16(15-20)14-18(17-12-9-8-10-13-17)21-22(5,6)19(2,3)4/h14,16-17H,7-13H2,1-6H3/b18-14+
InChIKeyYRQAJEQLQXWBRQ-NBVRZTHBSA-N
XLogP6.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.58
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile?
The IUPAC name of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile (CID 135070620) is 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile.
What is the SMILES notation for 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile?
The canonical SMILES for 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile is CCCC(C#N)/C=C(/O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile?
The InChIKey is YRQAJEQLQXWBRQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H35NOSi/c1-7-11-16(15-20)14-18(17-12-9-8-10-13-17)21-22(5,6)19(2,3)4/h14,16-17H,7-13H2,1-6H3/b18-14+.
What are the key properties of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile?
2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile has a molecular weight of 321.58 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile is sourced from PubChem (CID 135070620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).