CID 136823520

C53H66O8Si9 — CID 136823520

IUPAC—
SMILESC[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CC[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1)O[Si](C)C
InChIInChI=1S/C53H66O8Si9/c1-62(2)54-64(5,6)56-65(7,8)57-66(9,55-63(3)4)45-46-67(47-31-17-10-18-32-47)58-68(48-33-19-11-20-34-48,49-35-21-12-22-36-49)60-70(52-41-27-15-28-42-52,53-43-29-16-30-44-53)61-69(59-67,50-37-23-13-24-38-50)51-39-25-14-26-40-51/h10-44H,45-46H2,1-9H3
InChIKeyKLSZZDNCFGUMMM-UHFFFAOYSA-N
MW1083.88 g/mol
LogP8.23
Rot. Bonds18

About CID 136823520

CID 136823520 (PubChem CID 136823520) has the molecular formula C53H66O8Si9 and a molecular weight of 1083.88 g/mol.

Molecular Properties

Compound NameCID 136823520
PubChem CID136823520
Molecular FormulaC53H66O8Si9
Molecular Weight1083.88 g/mol
Exact Mass1082.27
IUPAC Name—
SMILESC[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CC[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1)O[Si](C)C
InChIInChI=1S/C53H66O8Si9/c1-62(2)54-64(5,6)56-65(7,8)57-66(9,55-63(3)4)45-46-67(47-31-17-10-18-32-47)58-68(48-33-19-11-20-34-48,49-35-21-12-22-36-49)60-70(52-41-27-15-28-42-52,53-43-29-16-30-44-53)61-69(59-67,50-37-23-13-24-38-50)51-39-25-14-26-40-51/h10-44H,45-46H2,1-9H3
InChIKeyKLSZZDNCFGUMMM-UHFFFAOYSA-N
XLogP8.23
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.88
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 136823520?
The IUPAC name of CID 136823520 (CID 136823520) is not available.
What is the SMILES notation for CID 136823520?
The canonical SMILES for CID 136823520 is C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CC[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1)O[Si](C)C.
What is the InChIKey of CID 136823520?
The InChIKey is KLSZZDNCFGUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H66O8Si9/c1-62(2)54-64(5,6)56-65(7,8)57-66(9,55-63(3)4)45-46-67(47-31-17-10-18-32-47)58-68(48-33-19-11-20-34-48,49-35-21-12-22-36-49)60-70(52-41-27-15-28-42-52,53-43-29-16-30-44-53)61-69(59-67,50-37-23-13-24-38-50)51-39-25-14-26-40-51/h10-44H,45-46H2,1-9H3.
What are the key properties of CID 136823520?
CID 136823520 has a molecular weight of 1083.88 g/mol, XLogP of 8.23, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136823520 is sourced from PubChem (CID 136823520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).