2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile

C10H16N2Si — CID 123246181

IUPAC2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile
SMILESCC(C)(C)[Si](C)(C)C(C#N)=CC#N
InChIInChI=1S/C10H16N2Si/c1-10(2,3)13(4,5)9(8-12)6-7-11/h6H,1-5H3
InChIKeyWCLBMGKANPAERP-UHFFFAOYSA-N
MW192.34 g/mol
LogP3.01
Rot. Bonds1

About 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile

2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile (PubChem CID 123246181) has the molecular formula C10H16N2Si and a molecular weight of 192.34 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile
PubChem CID123246181
Molecular FormulaC10H16N2Si
Molecular Weight192.34 g/mol
Exact Mass192.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile
SMILESCC(C)(C)[Si](C)(C)C(C#N)=CC#N
InChIInChI=1S/C10H16N2Si/c1-10(2,3)13(4,5)9(8-12)6-7-11/h6H,1-5H3
InChIKeyWCLBMGKANPAERP-UHFFFAOYSA-N
XLogP3.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-hydroxybut-2-enedinitrile
CID 87683842
4,4,4-trifluoro-3-(trifluoromethyl)but-2-enenitrile
CID 12006793
3-methylbut-2-enenitrile
CID 178069797
(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
CID 101444805
2-bromobut-2-enedinitrile
CID 57048227
3-(difluoromethyl)-4,4-dimethylpent-2-enenitrile
CID 56980560
(2E,4E)-3,5,6,6-tetramethylhepta-2,4-dienenitrile
CID 134995446
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
CID 15500749
tert-butyl-hexa-3,4-dien-3-yl-dimethylsilane
CID 123537321
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile
CID 101051208
4-methoxy-3-methylpent-2-enenitrile
CID 104865205

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile (CID 123246181) is 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile is CC(C)(C)[Si](C)(C)C(C#N)=CC#N.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile?
The InChIKey is WCLBMGKANPAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2Si/c1-10(2,3)13(4,5)9(8-12)6-7-11/h6H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile?
2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile has a molecular weight of 192.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]but-2-enedinitrile is sourced from PubChem (CID 123246181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).