2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile

C16H31NOSi — CID 135070989

IUPAC2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile
SMILESCCCCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NOSi/c1-8-9-10-11-15(13-17)12-14(2)18-19(6,7)16(3,4)5/h12,15H,8-11H2,1-7H3/b14-12+
InChIKeyCBWRSHAWNMCYKC-WYMLVPIESA-N
MW281.52 g/mol
LogP5.63
Rot. Bonds7

About 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile

2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile (PubChem CID 135070989) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile.

Molecular Properties

Compound Name2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile
PubChem CID135070989
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile
SMILESCCCCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NOSi/c1-8-9-10-11-15(13-17)12-14(2)18-19(6,7)16(3,4)5/h12,15H,8-11H2,1-7H3/b14-12+
InChIKeyCBWRSHAWNMCYKC-WYMLVPIESA-N
XLogP5.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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]oxyprop-1-enyl]heptanenitrile?
The IUPAC name of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile (CID 135070989) is 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile.
What is the SMILES notation for 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile?
The canonical SMILES for 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile is CCCCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile?
The InChIKey is CBWRSHAWNMCYKC-WYMLVPIESA-N. The full InChI is InChI=1S/C16H31NOSi/c1-8-9-10-11-15(13-17)12-14(2)18-19(6,7)16(3,4)5/h12,15H,8-11H2,1-7H3/b14-12+.
What are the key properties of 2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile?
2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile has a molecular weight of 281.52 g/mol, XLogP of 5.63, 7 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]oxyprop-1-enyl]heptanenitrile is sourced from PubChem (CID 135070989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).