2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile

C13H23NOSi — CID 103277378

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile
SMILESCC1=CC(C)CC(C(C#N)O[Si](C)(C)C)C1
InChIInChI=1S/C13H23NOSi/c1-10-6-11(2)8-12(7-10)13(9-14)15-16(3,4)5/h6,10,12-13H,7-8H2,1-5H3
InChIKeyHAFUNPYFYIUAIK-UHFFFAOYSA-N
MW237.42 g/mol
LogP3.72
Rot. Bonds3

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile

2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 103277378) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID103277378
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile
SMILESCC1=CC(C)CC(C(C#N)O[Si](C)(C)C)C1
InChIInChI=1S/C13H23NOSi/c1-10-6-11(2)8-12(7-10)13(9-14)15-16(3,4)5/h6,10,12-13H,7-8H2,1-5H3
InChIKeyHAFUNPYFYIUAIK-UHFFFAOYSA-N
XLogP3.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.72
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-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile (CID 103277378) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile is CC1=CC(C)CC(C(C#N)O[Si](C)(C)C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is HAFUNPYFYIUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-10-6-11(2)8-12(7-10)13(9-14)15-16(3,4)5/h6,10,12-13H,7-8H2,1-5H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile?
2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 237.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 103277378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).