2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile

C11H17NOSi — CID 90377926

IUPAC2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)C1=CC=CCC1
InChIInChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-5,7,11H,6,8H2,1-3H3
InChIKeyUCGXCRPGXRQDEY-UHFFFAOYSA-N
MW207.35 g/mol
LogP3.01
Rot. Bonds3

About 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile

2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile (PubChem CID 90377926) has the molecular formula C11H17NOSi and a molecular weight of 207.35 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile
PubChem CID90377926
Molecular FormulaC11H17NOSi
Molecular Weight207.35 g/mol
Exact Mass207.11
IUPAC Name2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)C1=CC=CCC1
InChIInChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-5,7,11H,6,8H2,1-3H3
InChIKeyUCGXCRPGXRQDEY-UHFFFAOYSA-N
XLogP3.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 53.01
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 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile (CID 90377926) is 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile?
The InChIKey is UCGXCRPGXRQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-5,7,11H,6,8H2,1-3H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile?
2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile has a molecular weight of 207.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 90377926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).