(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile

C16H28ClNOSi — CID 10567208

IUPAC(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile
SMILESC/C(=C\CCl)CC/C=C(\C)CCC(C#N)O[Si](C)(C)C
InChIInChI=1S/C16H28ClNOSi/c1-14(7-6-8-15(2)11-12-17)9-10-16(13-18)19-20(3,4)5/h7,11,16H,6,8-10,12H2,1-5H3/b14-7+,15-11+
InChIKeyBHEVGHLWLNCBSV-LRDJDILRSA-N
MW313.95 g/mol
LogP5.42
Rot. Bonds9

About (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile

(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile (PubChem CID 10567208) has the molecular formula C16H28ClNOSi and a molecular weight of 313.95 g/mol. Its IUPAC name is (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile.

Molecular Properties

Compound Name(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile
PubChem CID10567208
Molecular FormulaC16H28ClNOSi
Molecular Weight313.95 g/mol
Exact Mass313.16
IUPAC Name(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile
SMILESC/C(=C\CCl)CC/C=C(\C)CCC(C#N)O[Si](C)(C)C
InChIInChI=1S/C16H28ClNOSi/c1-14(7-6-8-15(2)11-12-17)9-10-16(13-18)19-20(3,4)5/h7,11,16H,6,8-10,12H2,1-5H3/b14-7+,15-11+
InChIKeyBHEVGHLWLNCBSV-LRDJDILRSA-N
XLogP5.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.95
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-11-chloro-2-(1-ethoxyethoxy)-5,9-dimethylundeca-5,9-dienenitrile
CID 10710346
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
6,10-dimethylundeca-1,5,9-trien-2-yloxy(trimethyl)silane
CID 73116947
[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane
CID 15239134
trimethyl-[(4Z,8Z,12Z,16Z)-4,8,12,16-tetramethyl-20-trimethylsilyloxyhenicosa-4,8,12,16-tetraenoxy]silane
CID 23266188
(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
CID 58792351
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
CID 52929831

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile?
The IUPAC name of (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile (CID 10567208) is (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile.
What is the SMILES notation for (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile?
The canonical SMILES for (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile is C/C(=C\CCl)CC/C=C(\C)CCC(C#N)O[Si](C)(C)C.
What is the InChIKey of (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile?
The InChIKey is BHEVGHLWLNCBSV-LRDJDILRSA-N. The full InChI is InChI=1S/C16H28ClNOSi/c1-14(7-6-8-15(2)11-12-17)9-10-16(13-18)19-20(3,4)5/h7,11,16H,6,8-10,12H2,1-5H3/b14-7+,15-11+.
What are the key properties of (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile?
(5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile has a molecular weight of 313.95 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-chloro-5,9-dimethyl-2-trimethylsilyloxyundeca-5,9-dienenitrile is sourced from PubChem (CID 10567208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).