2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile

C15H25NOSi — CID 10635301

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile
SMILESC=CC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C#N
InChIInChI=1S/C15H25NOSi/c1-7-12-9-8-10-14(13(12)11-16)17-18(5,6)15(2,3)4/h7,12H,1,8-10H2,2-6H3
InChIKeyMTVSIMVUHAWHPG-UHFFFAOYSA-N
MW263.46 g/mol
LogP4.77
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile

2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile (PubChem CID 10635301) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile
PubChem CID10635301
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile
SMILESC=CC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C#N
InChIInChI=1S/C15H25NOSi/c1-7-12-9-8-10-14(13(12)11-16)17-18(5,6)15(2,3)4/h7,12H,1,8-10H2,2-6H3
InChIKeyMTVSIMVUHAWHPG-UHFFFAOYSA-N
XLogP4.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile (CID 10635301) is 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile is C=CC1CCCC(O[Si](C)(C)C(C)(C)C)=C1C#N.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile?
The InChIKey is MTVSIMVUHAWHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-7-12-9-8-10-14(13(12)11-16)17-18(5,6)15(2,3)4/h7,12H,1,8-10H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile?
2-[tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile has a molecular weight of 263.46 g/mol, XLogP of 4.77, 3 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]oxy-6-ethenylcyclohexene-1-carbonitrile is sourced from PubChem (CID 10635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).