CID 22996193

C16H24NO2Si — CID 22996193

IUPAC—
SMILESCOCc1cc(C#N)cc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C16H24NO2Si/c1-16(2,3)15(19-20(5)6)14-8-12(10-17)7-13(9-14)11-18-4/h7-9,15H,11H2,1-6H3
InChIKeyGUNLEGLWHIAUND-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.06
Rot. Bonds5

About CID 22996193

CID 22996193 (PubChem CID 22996193) has the molecular formula C16H24NO2Si and a molecular weight of 290.46 g/mol.

Molecular Properties

Compound NameCID 22996193
PubChem CID22996193
Molecular FormulaC16H24NO2Si
Molecular Weight290.46 g/mol
Exact Mass290.16
IUPAC Name—
SMILESCOCc1cc(C#N)cc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C16H24NO2Si/c1-16(2,3)15(19-20(5)6)14-8-12(10-17)7-13(9-14)11-18-4/h7-9,15H,11H2,1-6H3
InChIKeyGUNLEGLWHIAUND-UHFFFAOYSA-N
XLogP4.06
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(methoxymethyl)benzonitrile
CID 69129586
CID 66699527
CID 66699527
ethyl 3-cyano-5-(methoxymethyl)benzoate
CID 22996220
3-methyl-5-(propan-2-yloxymethyl)benzonitrile
CID 159553333
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
3-(propan-2-yloxymethyl)-5-(trifluoromethyl)benzonitrile
CID 138616791
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
3,5-difluoro-4-(methoxymethyl)benzonitrile
CID 117279334
3-[(1S)-1-amino-2-methoxyethyl]-5-chlorobenzonitrile
CID 131150462
3-[(1S)-1-amino-2-methoxyethyl]-5-bromobenzonitrile
CID 131081660
1-tert-butyl-3,5-bis(methoxymethyl)benzene
CID 123490967

Frequently Asked Questions

What is the IUPAC name of CID 22996193?
The IUPAC name of CID 22996193 (CID 22996193) is not available.
What is the SMILES notation for CID 22996193?
The canonical SMILES for CID 22996193 is COCc1cc(C#N)cc(C(O[Si](C)C)C(C)(C)C)c1.
What is the InChIKey of CID 22996193?
The InChIKey is GUNLEGLWHIAUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO2Si/c1-16(2,3)15(19-20(5)6)14-8-12(10-17)7-13(9-14)11-18-4/h7-9,15H,11H2,1-6H3.
What are the key properties of CID 22996193?
CID 22996193 has a molecular weight of 290.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22996193 is sourced from PubChem (CID 22996193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).