1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

C10H17NOSi — CID 11052550

IUPAC1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C=CCCC1
InChIInChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3
InChIKeyQSNRHVZQROCGTP-UHFFFAOYSA-N
MW195.34 g/mol
LogP2.84
Rot. Bonds2

About 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 11052550) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
PubChem CID11052550
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C=CCCC1
InChIInChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3
InChIKeyQSNRHVZQROCGTP-UHFFFAOYSA-N
XLogP2.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.84
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'}

Analyze 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (CID 11052550) is 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is C[Si](C)(C)OC1(C#N)C=CCCC1.
What is the InChIKey of 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is QSNRHVZQROCGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 195.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 11052550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).