CID 139252762

C23H34O3SSi — CID 139252762

IUPAC—
SMILES[C]=C(CC(O[Si](C)(C)C(C)(C)C)C(=C)CCCC=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H34O3SSi/c1-9-10-12-15-19(2)22(26-28(7,8)23(4,5)6)18-20(3)27(24,25)21-16-13-11-14-17-21/h9,11,13-14,16-17,22H,1-2,10,12,15,18H2,4-8H3
InChIKeyUHRITZXLSABRKN-UHFFFAOYSA-N
MW418.68 g/mol
LogP6.35
Rot. Bonds11

About CID 139252762

CID 139252762 (PubChem CID 139252762) has the molecular formula C23H34O3SSi and a molecular weight of 418.68 g/mol.

Molecular Properties

Compound NameCID 139252762
PubChem CID139252762
Molecular FormulaC23H34O3SSi
Molecular Weight418.68 g/mol
Exact Mass418.20
IUPAC Name—
SMILES[C]=C(CC(O[Si](C)(C)C(C)(C)C)C(=C)CCCC=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H34O3SSi/c1-9-10-12-15-19(2)22(26-28(7,8)23(4,5)6)18-20(3)27(24,25)21-16-13-11-14-17-21/h9,11,13-14,16-17,22H,1-2,10,12,15,18H2,4-8H3
InChIKeyUHRITZXLSABRKN-UHFFFAOYSA-N
XLogP6.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.68
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139252762?
The IUPAC name of CID 139252762 (CID 139252762) is not available.
What is the SMILES notation for CID 139252762?
The canonical SMILES for CID 139252762 is [C]=C(CC(O[Si](C)(C)C(C)(C)C)C(=C)CCCC=C)S(=O)(=O)c1ccccc1.
What is the InChIKey of CID 139252762?
The InChIKey is UHRITZXLSABRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3SSi/c1-9-10-12-15-19(2)22(26-28(7,8)23(4,5)6)18-20(3)27(24,25)21-16-13-11-14-17-21/h9,11,13-14,16-17,22H,1-2,10,12,15,18H2,4-8H3.
What are the key properties of CID 139252762?
CID 139252762 has a molecular weight of 418.68 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139252762 is sourced from PubChem (CID 139252762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).