3-[tert-butyl(diphenyl)silyl]oxypropanenitrile

C19H23NOSi — CID 10828716

IUPAC3-[tert-butyl(diphenyl)silyl]oxypropanenitrile
SMILESCC(C)(C)[Si](OCCC#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,16H2,1-3H3
InChIKeyYFZIWZHPRKEAKO-UHFFFAOYSA-N
MW309.49 g/mol
LogP3.48
Rot. Bonds5

About 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile

3-[tert-butyl(diphenyl)silyl]oxypropanenitrile (PubChem CID 10828716) has the molecular formula C19H23NOSi and a molecular weight of 309.49 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypropanenitrile
PubChem CID10828716
Molecular FormulaC19H23NOSi
Molecular Weight309.49 g/mol
Exact Mass309.15
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypropanenitrile
SMILESCC(C)(C)[Si](OCCC#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,16H2,1-3H3
InChIKeyYFZIWZHPRKEAKO-UHFFFAOYSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile (CID 10828716) is 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile is CC(C)(C)[Si](OCCC#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile?
The InChIKey is YFZIWZHPRKEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,16H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile?
3-[tert-butyl(diphenyl)silyl]oxypropanenitrile has a molecular weight of 309.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypropanenitrile is sourced from PubChem (CID 10828716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).