(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile

C16H19NSi — CID 155931551

IUPAC(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile
SMILESC[Si](C)(C#Cc1ccccc1)/C=C/CCCC#N
InChIInChI=1S/C16H19NSi/c1-18(2,14-9-4-3-8-13-17)15-12-16-10-6-5-7-11-16/h5-7,9-11,14H,3-4,8H2,1-2H3/b14-9+
InChIKeyZDWBDGKVUDFVCV-NTEUORMPSA-N
MW253.42 g/mol
LogP4.07
Rot. Bonds4

About (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile

(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile (PubChem CID 155931551) has the molecular formula C16H19NSi and a molecular weight of 253.42 g/mol. Its IUPAC name is (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile.

Molecular Properties

Compound Name(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile
PubChem CID155931551
Molecular FormulaC16H19NSi
Molecular Weight253.42 g/mol
Exact Mass253.13
IUPAC Name(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile
SMILESC[Si](C)(C#Cc1ccccc1)/C=C/CCCC#N
InChIInChI=1S/C16H19NSi/c1-18(2,14-9-4-3-8-13-17)15-12-16-10-6-5-7-11-16/h5-7,9-11,14H,3-4,8H2,1-2H3/b14-9+
InChIKeyZDWBDGKVUDFVCV-NTEUORMPSA-N
XLogP4.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
CID 10571600
4-(2-phenylethynoxy)butanenitrile
CID 142720134
trimethyl-[(E)-9-phenylnon-2-en-8-ynyl]silane
CID 15373352
trimethyl-[(Z)-9-phenylnon-2-en-8-ynyl]silane
CID 10956601
(E)-6-(2-methylphenyl)hex-5-enenitrile
CID 14970935
(E)-7-amino-7-phenylhept-5-enenitrile
CID 24973745
dimethyl-(2-phenylethynyl)-prop-1-ynylsilane
CID 20633865
(5R)-5,7-diphenylhept-6-ynenitrile
CID 138911214
4-[(E)-5-cyanopent-1-enyl]benzonitrile
CID 162402483
dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
CID 71442006
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
3-[dimethyl(2-phenylethynyl)silyl]propan-1-ol
CID 102232582

Frequently Asked Questions

What is the IUPAC name of (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile?
The IUPAC name of (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile (CID 155931551) is (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile.
What is the SMILES notation for (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile?
The canonical SMILES for (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile is C[Si](C)(C#Cc1ccccc1)/C=C/CCCC#N.
What is the InChIKey of (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile?
The InChIKey is ZDWBDGKVUDFVCV-NTEUORMPSA-N. The full InChI is InChI=1S/C16H19NSi/c1-18(2,14-9-4-3-8-13-17)15-12-16-10-6-5-7-11-16/h5-7,9-11,14H,3-4,8H2,1-2H3/b14-9+.
What are the key properties of (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile?
(E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile has a molecular weight of 253.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[dimethyl(2-phenylethynyl)silyl]hex-5-enenitrile is sourced from PubChem (CID 155931551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).