CID 58085066

C53H158O25Si26 — CID 58085066

IUPAC—
SMILESCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C
InChIInChI=1S/C53H158O25Si26/c1-53-80(3,4)55-82(7,8)57-84(11,12)59-86(15,16)61-88(19,20)63-90(23,24)65-92(27,28)67-94(31,32)69-96(35,36)71-98(39,40)73-100(43,44)75-102(47,48)77-104(51,52)78-103(49,50)76-101(45,46)74-99(41,42)72-97(37,38)70-95(33,34)68-93(29,30)66-91(25,26)64-89(21,22)62-87(17,18)60-85(13,14)58-83(9,10)56-81(5,6)54-79-2/h53H2,1-52H3
InChIKeyFERBSLMEHMGPJH-UHFFFAOYSA-N
MW1926.06 g/mol
LogP19.14
Rot. Bonds51

About CID 58085066

CID 58085066 (PubChem CID 58085066) has the molecular formula C53H158O25Si26 and a molecular weight of 1926.06 g/mol.

Molecular Properties

Compound NameCID 58085066
PubChem CID58085066
Molecular FormulaC53H158O25Si26
Molecular Weight1926.06 g/mol
Exact Mass1922.51
IUPAC Name—
SMILESCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C
InChIInChI=1S/C53H158O25Si26/c1-53-80(3,4)55-82(7,8)57-84(11,12)59-86(15,16)61-88(19,20)63-90(23,24)65-92(27,28)67-94(31,32)69-96(35,36)71-98(39,40)73-100(43,44)75-102(47,48)77-104(51,52)78-103(49,50)76-101(45,46)74-99(41,42)72-97(37,38)70-95(33,34)68-93(29,30)66-91(25,26)64-89(21,22)62-87(17,18)60-85(13,14)58-83(9,10)56-81(5,6)54-79-2/h53H2,1-52H3
InChIKeyFERBSLMEHMGPJH-UHFFFAOYSA-N
XLogP19.14
TPSA230.75 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001926.06
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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 58085066?
The IUPAC name of CID 58085066 (CID 58085066) is not available.
What is the SMILES notation for CID 58085066?
The canonical SMILES for CID 58085066 is CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si]C.
What is the InChIKey of CID 58085066?
The InChIKey is FERBSLMEHMGPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H158O25Si26/c1-53-80(3,4)55-82(7,8)57-84(11,12)59-86(15,16)61-88(19,20)63-90(23,24)65-92(27,28)67-94(31,32)69-96(35,36)71-98(39,40)73-100(43,44)75-102(47,48)77-104(51,52)78-103(49,50)76-101(45,46)74-99(41,42)72-97(37,38)70-95(33,34)68-93(29,30)66-91(25,26)64-89(21,22)62-87(17,18)60-85(13,14)58-83(9,10)56-81(5,6)54-79-2/h53H2,1-52H3.
What are the key properties of CID 58085066?
CID 58085066 has a molecular weight of 1926.06 g/mol, XLogP of 19.14, 51 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58085066 is sourced from PubChem (CID 58085066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).