CID 69295622

C39H41O4Si — CID 69295622

IUPAC—
SMILESCC(C)(C)Oc1ccc(C(c2ccccc2)c2ccc(OC(C)(C)C)cc2O[Si](c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C39H41O4Si/c1-38(2,3)41-29-22-24-33(35(40)26-29)37(28-16-10-7-11-17-28)34-25-23-30(42-39(4,5)6)27-36(34)43-44(31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-27,37,40H,1-6H3
InChIKeyFJYZKYNREXBRBR-UHFFFAOYSA-N
MW601.84 g/mol
LogP8.11
Rot. Bonds9

About CID 69295622

CID 69295622 (PubChem CID 69295622) has the molecular formula C39H41O4Si and a molecular weight of 601.84 g/mol.

Molecular Properties

Compound NameCID 69295622
PubChem CID69295622
Molecular FormulaC39H41O4Si
Molecular Weight601.84 g/mol
Exact Mass601.28
IUPAC Name—
SMILESCC(C)(C)Oc1ccc(C(c2ccccc2)c2ccc(OC(C)(C)C)cc2O[Si](c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C39H41O4Si/c1-38(2,3)41-29-22-24-33(35(40)26-29)37(28-16-10-7-11-17-28)34-25-23-30(42-39(4,5)6)27-36(34)43-44(31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-27,37,40H,1-6H3
InChIKeyFJYZKYNREXBRBR-UHFFFAOYSA-N
XLogP8.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.84
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69295622?
The IUPAC name of CID 69295622 (CID 69295622) is not available.
What is the SMILES notation for CID 69295622?
The canonical SMILES for CID 69295622 is CC(C)(C)Oc1ccc(C(c2ccccc2)c2ccc(OC(C)(C)C)cc2O[Si](c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of CID 69295622?
The InChIKey is FJYZKYNREXBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41O4Si/c1-38(2,3)41-29-22-24-33(35(40)26-29)37(28-16-10-7-11-17-28)34-25-23-30(42-39(4,5)6)27-36(34)43-44(31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-27,37,40H,1-6H3.
What are the key properties of CID 69295622?
CID 69295622 has a molecular weight of 601.84 g/mol, XLogP of 8.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69295622 is sourced from PubChem (CID 69295622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).