CID 68584635

C48H60OSi2 — CID 68584635

IUPAC—
SMILESc1ccc([Si](O[Si](c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c(C2CCCCC2)c1
InChIInChI=1S/C48H60OSi2/c1-5-21-37(22-6-1)41-29-13-17-33-45(41)50(46-34-18-14-30-42(46)38-23-7-2-8-24-38)49-51(47-35-19-15-31-43(47)39-25-9-3-10-26-39)48-36-20-16-32-44(48)40-27-11-4-12-28-40/h13-20,29-40H,1-12,21-28H2
InChIKeyUVUDPNDCVGXZDS-UHFFFAOYSA-N
MW709.18 g/mol
LogP10.81
Rot. Bonds10

About CID 68584635

CID 68584635 (PubChem CID 68584635) has the molecular formula C48H60OSi2 and a molecular weight of 709.18 g/mol.

Molecular Properties

Compound NameCID 68584635
PubChem CID68584635
Molecular FormulaC48H60OSi2
Molecular Weight709.18 g/mol
Exact Mass708.42
IUPAC Name—
SMILESc1ccc([Si](O[Si](c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c(C2CCCCC2)c1
InChIInChI=1S/C48H60OSi2/c1-5-21-37(22-6-1)41-29-13-17-33-45(41)50(46-34-18-14-30-42(46)38-23-7-2-8-24-38)49-51(47-35-19-15-31-43(47)39-25-9-3-10-26-39)48-36-20-16-32-44(48)40-27-11-4-12-28-40/h13-20,29-40H,1-12,21-28H2
InChIKeyUVUDPNDCVGXZDS-UHFFFAOYSA-N
XLogP10.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.18
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 68584635?
The IUPAC name of CID 68584635 (CID 68584635) is not available.
What is the SMILES notation for CID 68584635?
The canonical SMILES for CID 68584635 is c1ccc([Si](O[Si](c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c2ccccc2C2CCCCC2)c(C2CCCCC2)c1.
What is the InChIKey of CID 68584635?
The InChIKey is UVUDPNDCVGXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60OSi2/c1-5-21-37(22-6-1)41-29-13-17-33-45(41)50(46-34-18-14-30-42(46)38-23-7-2-8-24-38)49-51(47-35-19-15-31-43(47)39-25-9-3-10-26-39)48-36-20-16-32-44(48)40-27-11-4-12-28-40/h13-20,29-40H,1-12,21-28H2.
What are the key properties of CID 68584635?
CID 68584635 has a molecular weight of 709.18 g/mol, XLogP of 10.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68584635 is sourced from PubChem (CID 68584635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).