[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile

C21H35NOSi — CID 134900930

IUPAC[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O[Si](C)(C)C#N)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NOSi/c1-19(2,3)15-12-16(20(4,5)6)18(23-24(10,11)14-22)17(13-15)21(7,8)9/h12-13H,1-11H3
InChIKeySBENFNFANGKVCY-UHFFFAOYSA-N
MW345.60 g/mol
LogP6.23
Rot. Bonds2

About [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile

[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile (PubChem CID 134900930) has the molecular formula C21H35NOSi and a molecular weight of 345.60 g/mol. Its IUPAC name is [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile.

Molecular Properties

Compound Name[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
PubChem CID134900930
Molecular FormulaC21H35NOSi
Molecular Weight345.60 g/mol
Exact Mass345.25
IUPAC Name[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O[Si](C)(C)C#N)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NOSi/c1-19(2,3)15-12-16(20(4,5)6)18(23-24(10,11)14-22)17(13-15)21(7,8)9/h12-13H,1-11H3
InChIKeySBENFNFANGKVCY-UHFFFAOYSA-N
XLogP6.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile?
The IUPAC name of [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile (CID 134900930) is [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile.
What is the SMILES notation for [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile?
The canonical SMILES for [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile is CC(C)(C)c1cc(C(C)(C)C)c(O[Si](C)(C)C#N)c(C(C)(C)C)c1.
What is the InChIKey of [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile?
The InChIKey is SBENFNFANGKVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NOSi/c1-19(2,3)15-12-16(20(4,5)6)18(23-24(10,11)14-22)17(13-15)21(7,8)9/h12-13H,1-11H3.
What are the key properties of [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile?
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile has a molecular weight of 345.60 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile is sourced from PubChem (CID 134900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).