CID 68867958

C21H24O3SSi — CID 68867958

IUPAC—
SMILESCOC1C=C(S(=O)(=O)c2ccccc2)C([Si]c2cccc(C)c2C)CC1
InChIInChI=1S/C21H24O3SSi/c1-15-8-7-11-20(16(15)2)26-21-13-12-17(24-3)14-19(21)25(22,23)18-9-5-4-6-10-18/h4-11,14,17,21H,12-13H2,1-3H3
InChIKeyUGMGOBQYBNMJGO-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.59
Rot. Bonds5

About CID 68867958

CID 68867958 (PubChem CID 68867958) has the molecular formula C21H24O3SSi and a molecular weight of 384.57 g/mol.

Molecular Properties

Compound NameCID 68867958
PubChem CID68867958
Molecular FormulaC21H24O3SSi
Molecular Weight384.57 g/mol
Exact Mass384.12
IUPAC Name—
SMILESCOC1C=C(S(=O)(=O)c2ccccc2)C([Si]c2cccc(C)c2C)CC1
InChIInChI=1S/C21H24O3SSi/c1-15-8-7-11-20(16(15)2)26-21-13-12-17(24-3)14-19(21)25(22,23)18-9-5-4-6-10-18/h4-11,14,17,21H,12-13H2,1-3H3
InChIKeyUGMGOBQYBNMJGO-UHFFFAOYSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68867958?
The IUPAC name of CID 68867958 (CID 68867958) is not available.
What is the SMILES notation for CID 68867958?
The canonical SMILES for CID 68867958 is COC1C=C(S(=O)(=O)c2ccccc2)C([Si]c2cccc(C)c2C)CC1.
What is the InChIKey of CID 68867958?
The InChIKey is UGMGOBQYBNMJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3SSi/c1-15-8-7-11-20(16(15)2)26-21-13-12-17(24-3)14-19(21)25(22,23)18-9-5-4-6-10-18/h4-11,14,17,21H,12-13H2,1-3H3.
What are the key properties of CID 68867958?
CID 68867958 has a molecular weight of 384.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68867958 is sourced from PubChem (CID 68867958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).