CID 68839040

C19H24NO4Si — CID 68839040

IUPAC—
SMILESC[Si](C)C(C)(C)COc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1
InChIInChI=1S/C19H24NO4Si/c1-19(2,25(3)4)14-24-16-10-11-17(20(21)22)18(12-16)23-13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3
InChIKeyFDZJCBAVOKAYAA-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.09
Rot. Bonds8

About CID 68839040

CID 68839040 (PubChem CID 68839040) has the molecular formula C19H24NO4Si and a molecular weight of 358.49 g/mol.

Molecular Properties

Compound NameCID 68839040
PubChem CID68839040
Molecular FormulaC19H24NO4Si
Molecular Weight358.49 g/mol
Exact Mass358.15
IUPAC Name—
SMILESC[Si](C)C(C)(C)COc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1
InChIInChI=1S/C19H24NO4Si/c1-19(2,25(3)4)14-24-16-10-11-17(20(21)22)18(12-16)23-13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3
InChIKeyFDZJCBAVOKAYAA-UHFFFAOYSA-N
XLogP5.09
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 68839040?
The IUPAC name of CID 68839040 (CID 68839040) is not available.
What is the SMILES notation for CID 68839040?
The canonical SMILES for CID 68839040 is C[Si](C)C(C)(C)COc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1.
What is the InChIKey of CID 68839040?
The InChIKey is FDZJCBAVOKAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO4Si/c1-19(2,25(3)4)14-24-16-10-11-17(20(21)22)18(12-16)23-13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3.
What are the key properties of CID 68839040?
CID 68839040 has a molecular weight of 358.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68839040 is sourced from PubChem (CID 68839040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).