CID 136693288

C42H126O37Si38 — CID 136693288

IUPAC—
SMILESC[Si](O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C
InChIInChI=1S/C42H126O37Si38/c1-80(44-82(3)46-84(5)48-86(7)50-88(9)52-90(11)54-92(13)56-94(15)58-96(17)60-98(19)62-100(21)64-102(23)66-104(25)68-106(27)70-108(29)72-110(31)74-112(33)76-114(35)78-116(37,38)39)43-81(2)45-83(4)47-85(6)49-87(8)51-89(10)53-91(12)55-93(14)57-95(16)59-97(18)61-99(20)63-101(22)65-103(24)67-105(26)69-107(28)71-109(30)73-111(32)75-113(34)77-115(36)79-117(40,41)42/h1-42H3
InChIKeyAFLGIOFKROCWSJ-UHFFFAOYSA-N
MW2290.70 g/mol
LogP7.52
Rot. Bonds74

About CID 136693288

CID 136693288 (PubChem CID 136693288) has the molecular formula C42H126O37Si38 and a molecular weight of 2290.70 g/mol.

Molecular Properties

Compound NameCID 136693288
PubChem CID136693288
Molecular FormulaC42H126O37Si38
Molecular Weight2290.70 g/mol
Exact Mass2285.92
IUPAC Name—
SMILESC[Si](O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C
InChIInChI=1S/C42H126O37Si38/c1-80(44-82(3)46-84(5)48-86(7)50-88(9)52-90(11)54-92(13)56-94(15)58-96(17)60-98(19)62-100(21)64-102(23)66-104(25)68-106(27)70-108(29)72-110(31)74-112(33)76-114(35)78-116(37,38)39)43-81(2)45-83(4)47-85(6)49-87(8)51-89(10)53-91(12)55-93(14)57-95(16)59-97(18)61-99(20)63-101(22)65-103(24)67-105(26)69-107(28)71-109(30)73-111(32)75-113(34)77-115(36)79-117(40,41)42/h1-42H3
InChIKeyAFLGIOFKROCWSJ-UHFFFAOYSA-N
XLogP7.52
TPSA341.51 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds74
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.70
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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 136693288?
The IUPAC name of CID 136693288 (CID 136693288) is not available.
What is the SMILES notation for CID 136693288?
The canonical SMILES for CID 136693288 is C[Si](O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)O[Si](C)(C)C.
What is the InChIKey of CID 136693288?
The InChIKey is AFLGIOFKROCWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H126O37Si38/c1-80(44-82(3)46-84(5)48-86(7)50-88(9)52-90(11)54-92(13)56-94(15)58-96(17)60-98(19)62-100(21)64-102(23)66-104(25)68-106(27)70-108(29)72-110(31)74-112(33)76-114(35)78-116(37,38)39)43-81(2)45-83(4)47-85(6)49-87(8)51-89(10)53-91(12)55-93(14)57-95(16)59-97(18)61-99(20)63-101(22)65-103(24)67-105(26)69-107(28)71-109(30)73-111(32)75-113(34)77-115(36)79-117(40,41)42/h1-42H3.
What are the key properties of CID 136693288?
CID 136693288 has a molecular weight of 2290.70 g/mol, XLogP of 7.52, 74 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136693288 is sourced from PubChem (CID 136693288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).