[3-cyanopropyl(dimethyl)silyl] undecanoate

C17H33NO2Si — CID 91712847

IUPAC[3-cyanopropyl(dimethyl)silyl] undecanoate
SMILESCCCCCCCCCCC(=O)O[Si](C)(C)CCCC#N
InChIInChI=1S/C17H33NO2Si/c1-4-5-6-7-8-9-10-11-14-17(19)20-21(2,3)16-13-12-15-18/h4-14,16H2,1-3H3
InChIKeyYYLBPZQRHNLTGZ-UHFFFAOYSA-N
MW311.54 g/mol
LogP5.57
Rot. Bonds13

About [3-cyanopropyl(dimethyl)silyl] undecanoate

[3-cyanopropyl(dimethyl)silyl] undecanoate (PubChem CID 91712847) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is [3-cyanopropyl(dimethyl)silyl] undecanoate.

Molecular Properties

Compound Name[3-cyanopropyl(dimethyl)silyl] undecanoate
PubChem CID91712847
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name[3-cyanopropyl(dimethyl)silyl] undecanoate
SMILESCCCCCCCCCCC(=O)O[Si](C)(C)CCCC#N
InChIInChI=1S/C17H33NO2Si/c1-4-5-6-7-8-9-10-11-14-17(19)20-21(2,3)16-13-12-15-18/h4-14,16H2,1-3H3
InChIKeyYYLBPZQRHNLTGZ-UHFFFAOYSA-N
XLogP5.57
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.54
LogP ≤ 55.57
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'}

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Related Compounds

[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
trimethylsilyl icosanoate
CID 521648
methyl 16-cyanohexadecanoate
CID 86171484
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
propyl 12-cyanododecanoate
CID 19904856
propyl 11-cyanoundecanoate
CID 19904855
trimethylsilyl tricosa-10,12-diynoate
CID 91696389
ethyl 6-cyanohexanoate
CID 24976
ethyl 13-cyanotridecanoate
CID 66560763
cyano octanoate
CID 88829134

Frequently Asked Questions

What is the IUPAC name of [3-cyanopropyl(dimethyl)silyl] undecanoate?
The IUPAC name of [3-cyanopropyl(dimethyl)silyl] undecanoate (CID 91712847) is [3-cyanopropyl(dimethyl)silyl] undecanoate.
What is the SMILES notation for [3-cyanopropyl(dimethyl)silyl] undecanoate?
The canonical SMILES for [3-cyanopropyl(dimethyl)silyl] undecanoate is CCCCCCCCCCC(=O)O[Si](C)(C)CCCC#N.
What is the InChIKey of [3-cyanopropyl(dimethyl)silyl] undecanoate?
The InChIKey is YYLBPZQRHNLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2Si/c1-4-5-6-7-8-9-10-11-14-17(19)20-21(2,3)16-13-12-15-18/h4-14,16H2,1-3H3.
What are the key properties of [3-cyanopropyl(dimethyl)silyl] undecanoate?
[3-cyanopropyl(dimethyl)silyl] undecanoate has a molecular weight of 311.54 g/mol, XLogP of 5.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyanopropyl(dimethyl)silyl] undecanoate is sourced from PubChem (CID 91712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).