CID 169088134

C52H49OSi2 — CID 169088134

IUPAC—
SMILESc1ccc([Si](CCCCCCCC(c2cccc3ccccc23)c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H49OSi2/c1(2-16-38-52(50-39-22-26-42-24-17-19-36-48(42)50)51-40-23-27-43-25-18-20-37-49(43)51)3-21-41-54(44-28-8-4-9-29-44)53-55(45-30-10-5-11-31-45,46-32-12-6-13-33-46)47-34-14-7-15-35-47/h4-15,17-20,22-37,39-40,52H,1-3,16,21,38,41H2
InChIKeyNVSSXYNXPMZTKM-UHFFFAOYSA-N
MW746.14 g/mol
LogP11.05
Rot. Bonds16

About CID 169088134

CID 169088134 (PubChem CID 169088134) has the molecular formula C52H49OSi2 and a molecular weight of 746.14 g/mol.

Molecular Properties

Compound NameCID 169088134
PubChem CID169088134
Molecular FormulaC52H49OSi2
Molecular Weight746.14 g/mol
Exact Mass745.33
IUPAC Name—
SMILESc1ccc([Si](CCCCCCCC(c2cccc3ccccc23)c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H49OSi2/c1(2-16-38-52(50-39-22-26-42-24-17-19-36-48(42)50)51-40-23-27-43-25-18-20-37-49(43)51)3-21-41-54(44-28-8-4-9-29-44)53-55(45-30-10-5-11-31-45,46-32-12-6-13-33-46)47-34-14-7-15-35-47/h4-15,17-20,22-37,39-40,52H,1-3,16,21,38,41H2
InChIKeyNVSSXYNXPMZTKM-UHFFFAOYSA-N
XLogP11.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.14
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-methoxy-1-naphthalen-1-ylpentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 169088134?
The IUPAC name of CID 169088134 (CID 169088134) is not available.
What is the SMILES notation for CID 169088134?
The canonical SMILES for CID 169088134 is c1ccc([Si](CCCCCCCC(c2cccc3ccccc23)c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 169088134?
The InChIKey is NVSSXYNXPMZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49OSi2/c1(2-16-38-52(50-39-22-26-42-24-17-19-36-48(42)50)51-40-23-27-43-25-18-20-37-49(43)51)3-21-41-54(44-28-8-4-9-29-44)53-55(45-30-10-5-11-31-45,46-32-12-6-13-33-46)47-34-14-7-15-35-47/h4-15,17-20,22-37,39-40,52H,1-3,16,21,38,41H2.
What are the key properties of CID 169088134?
CID 169088134 has a molecular weight of 746.14 g/mol, XLogP of 11.05, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169088134 is sourced from PubChem (CID 169088134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).