5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile

C24H38N2O3Si — CID 634001

IUPAC5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile
SMILESCON=C1C(C#N)CC2(C)C3CCC4(C)C(O[Si](C)(C)C)CCC4C3CCC23OC13
InChIInChI=1S/C24H38N2O3Si/c1-22-11-10-18-16(17(22)7-8-19(22)29-30(4,5)6)9-12-24-21(28-24)20(26-27-3)15(14-25)13-23(18,24)2/h15-19,21H,7-13H2,1-6H3
InChIKeyQUEWWGOFCLVAQD-UHFFFAOYSA-N
MW430.67 g/mol
LogP5.13
Rot. Bonds3

About 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile

5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile (PubChem CID 634001) has the molecular formula C24H38N2O3Si and a molecular weight of 430.67 g/mol. Its IUPAC name is 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile.

Molecular Properties

Compound Name5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile
PubChem CID634001
Molecular FormulaC24H38N2O3Si
Molecular Weight430.67 g/mol
Exact Mass430.27
IUPAC Name5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile
SMILESCON=C1C(C#N)CC2(C)C3CCC4(C)C(O[Si](C)(C)C)CCC4C3CCC23OC13
InChIInChI=1S/C24H38N2O3Si/c1-22-11-10-18-16(17(22)7-8-19(22)29-30(4,5)6)9-12-24-21(28-24)20(26-27-3)15(14-25)13-23(18,24)2/h15-19,21H,7-13H2,1-6H3
InChIKeyQUEWWGOFCLVAQD-UHFFFAOYSA-N
XLogP5.13
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile?
The IUPAC name of 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile (CID 634001) is 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile.
What is the SMILES notation for 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile?
The canonical SMILES for 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile is CON=C1C(C#N)CC2(C)C3CCC4(C)C(O[Si](C)(C)C)CCC4C3CCC23OC13.
What is the InChIKey of 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile?
The InChIKey is QUEWWGOFCLVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3Si/c1-22-11-10-18-16(17(22)7-8-19(22)29-30(4,5)6)9-12-24-21(28-24)20(26-27-3)15(14-25)13-23(18,24)2/h15-19,21H,7-13H2,1-6H3.
What are the key properties of 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile?
5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile has a molecular weight of 430.67 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyimino-2,16-dimethyl-15-trimethylsilyloxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carbonitrile is sourced from PubChem (CID 634001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).