2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile

C16H27NOSi — CID 132987846

IUPAC2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCCC1=C1CCCCC1
InChIInChI=1S/C16H27NOSi/c1-19(2,3)18-16(13-17)12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H2,1-3H3
InChIKeyCMFSPNJTIBGOGL-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.93
Rot. Bonds2

About 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile

2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile (PubChem CID 132987846) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile
PubChem CID132987846
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCCC1=C1CCCCC1
InChIInChI=1S/C16H27NOSi/c1-19(2,3)18-16(13-17)12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H2,1-3H3
InChIKeyCMFSPNJTIBGOGL-UHFFFAOYSA-N
XLogP4.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.93
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 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-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 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The IUPAC name of 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile (CID 132987846) is 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile.
What is the SMILES notation for 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The canonical SMILES for 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCCC1=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The InChIKey is CMFSPNJTIBGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-19(2,3)18-16(13-17)12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H2,1-3H3.
What are the key properties of 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile?
2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile has a molecular weight of 277.48 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 132987846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).