4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile

C13H25NOSi — CID 91697253

IUPAC4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile
SMILESCC1CCC(O[Si](C)(C)CCCC#N)CC1
InChIInChI=1S/C13H25NOSi/c1-12-6-8-13(9-7-12)15-16(2,3)11-5-4-10-14/h12-13H,4-9,11H2,1-3H3
InChIKeyPMELFRPQCQLRQC-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.09
Rot. Bonds5

About 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile

4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile (PubChem CID 91697253) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile.

Molecular Properties

Compound Name4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile
PubChem CID91697253
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile
SMILESCC1CCC(O[Si](C)(C)CCCC#N)CC1
InChIInChI=1S/C13H25NOSi/c1-12-6-8-13(9-7-12)15-16(2,3)11-5-4-10-14/h12-13H,4-9,11H2,1-3H3
InChIKeyPMELFRPQCQLRQC-UHFFFAOYSA-N
XLogP4.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile?
The IUPAC name of 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile (CID 91697253) is 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile.
What is the SMILES notation for 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile?
The canonical SMILES for 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile is CC1CCC(O[Si](C)(C)CCCC#N)CC1.
What is the InChIKey of 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile?
The InChIKey is PMELFRPQCQLRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-12-6-8-13(9-7-12)15-16(2,3)11-5-4-10-14/h12-13H,4-9,11H2,1-3H3.
What are the key properties of 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile?
4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile has a molecular weight of 239.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile is sourced from PubChem (CID 91697253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).