CID 164896977

C27H23O2Si2 — CID 164896977

IUPAC—
SMILESCC([Si]c1ccccc1)(c1ccc2c(c1)OCO2)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23O2Si2/c1-27(30-22-11-5-2-6-12-22,21-17-18-25-26(19-21)29-20-28-25)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3
InChIKeyOCLPIFXYGUSLBN-UHFFFAOYSA-N
MW435.65 g/mol
LogP3.51
Rot. Bonds6

About CID 164896977

CID 164896977 (PubChem CID 164896977) has the molecular formula C27H23O2Si2 and a molecular weight of 435.65 g/mol.

Molecular Properties

Compound NameCID 164896977
PubChem CID164896977
Molecular FormulaC27H23O2Si2
Molecular Weight435.65 g/mol
Exact Mass435.12
IUPAC Name—
SMILESCC([Si]c1ccccc1)(c1ccc2c(c1)OCO2)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23O2Si2/c1-27(30-22-11-5-2-6-12-22,21-17-18-25-26(19-21)29-20-28-25)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3
InChIKeyOCLPIFXYGUSLBN-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 164896977?
The IUPAC name of CID 164896977 (CID 164896977) is not available.
What is the SMILES notation for CID 164896977?
The canonical SMILES for CID 164896977 is CC([Si]c1ccccc1)(c1ccc2c(c1)OCO2)[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 164896977?
The InChIKey is OCLPIFXYGUSLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O2Si2/c1-27(30-22-11-5-2-6-12-22,21-17-18-25-26(19-21)29-20-28-25)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3.
What are the key properties of CID 164896977?
CID 164896977 has a molecular weight of 435.65 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164896977 is sourced from PubChem (CID 164896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).