CID 58891754

C25H38O2Si2 — CID 58891754

IUPAC—
SMILESC[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C)cc2)cc1
InChIInChI=1S/C25H38O2Si2/c1-25(2,21-9-13-23(14-10-21)26-17-7-19-28(3)4)22-11-15-24(16-12-22)27-18-8-20-29(5)6/h9-16H,7-8,17-20H2,1-6H3
InChIKeyIHQNVUXHACFZLT-UHFFFAOYSA-N
MW426.75 g/mol
LogP7.06
Rot. Bonds12

About CID 58891754

CID 58891754 (PubChem CID 58891754) has the molecular formula C25H38O2Si2 and a molecular weight of 426.75 g/mol.

Molecular Properties

Compound NameCID 58891754
PubChem CID58891754
Molecular FormulaC25H38O2Si2
Molecular Weight426.75 g/mol
Exact Mass426.24
IUPAC Name—
SMILESC[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C)cc2)cc1
InChIInChI=1S/C25H38O2Si2/c1-25(2,21-9-13-23(14-10-21)26-17-7-19-28(3)4)22-11-15-24(16-12-22)27-18-8-20-29(5)6/h9-16H,7-8,17-20H2,1-6H3
InChIKeyIHQNVUXHACFZLT-UHFFFAOYSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58891754?
The IUPAC name of CID 58891754 (CID 58891754) is not available.
What is the SMILES notation for CID 58891754?
The canonical SMILES for CID 58891754 is C[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C)cc2)cc1.
What is the InChIKey of CID 58891754?
The InChIKey is IHQNVUXHACFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si2/c1-25(2,21-9-13-23(14-10-21)26-17-7-19-28(3)4)22-11-15-24(16-12-22)27-18-8-20-29(5)6/h9-16H,7-8,17-20H2,1-6H3.
What are the key properties of CID 58891754?
CID 58891754 has a molecular weight of 426.75 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58891754 is sourced from PubChem (CID 58891754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).