CID 136814543

C24H56O13P4Si2 — CID 136814543

IUPAC—
SMILESCCO[P+]([O-])(CC[Si](CC[P+]([O-])(OCC)OCC)O[Si](CC[P+]([O-])(OCC)OCC)CC[P+]([O-])(OCC)OCC)OCC
InChIInChI=1S/C24H56O13P4Si2/c1-9-29-38(25,30-10-2)17-21-42(22-18-39(26,31-11-3)32-12-4)37-43(23-19-40(27,33-13-5)34-14-6)24-20-41(28,35-15-7)36-16-8/h9-24H2,1-8H3
InChIKeyFUPCOFOAITVMQX-UHFFFAOYSA-N
MW732.77 g/mol
LogP3.77
Rot. Bonds30

About CID 136814543

CID 136814543 (PubChem CID 136814543) has the molecular formula C24H56O13P4Si2 and a molecular weight of 732.77 g/mol.

Molecular Properties

Compound NameCID 136814543
PubChem CID136814543
Molecular FormulaC24H56O13P4Si2
Molecular Weight732.77 g/mol
Exact Mass732.22
IUPAC Name—
SMILESCCO[P+]([O-])(CC[Si](CC[P+]([O-])(OCC)OCC)O[Si](CC[P+]([O-])(OCC)OCC)CC[P+]([O-])(OCC)OCC)OCC
InChIInChI=1S/C24H56O13P4Si2/c1-9-29-38(25,30-10-2)17-21-42(22-18-39(26,31-11-3)32-12-4)37-43(23-19-40(27,33-13-5)34-14-6)24-20-41(28,35-15-7)36-16-8/h9-24H2,1-8H3
InChIKeyFUPCOFOAITVMQX-UHFFFAOYSA-N
XLogP3.77
TPSA175.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium
CID 136898874
CID 162472049
CID 162472049
CID 135084279
CID 135084279
potassium 3,3-diethoxypropan-1-olate
CID 23688415
5-(3-ethoxypropoxy)hex-1-yne
CID 21485698
tetrakis(hexan-3-olate);zirconium(4+)
CID 161428772
ethoxy(trihexyl)phosphanium
CID 175604619
1,1-diethoxyethane
CID 7765
sodium 2-ethoxypropanoate
CID 141029681
(2S)-3-ethoxybutan-2-amine
CID 64712582
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
3-ethoxy-1,5-difluoropentane
CID 54263170

Frequently Asked Questions

What is the IUPAC name of CID 136814543?
The IUPAC name of CID 136814543 (CID 136814543) is not available.
What is the SMILES notation for CID 136814543?
The canonical SMILES for CID 136814543 is CCO[P+]([O-])(CC[Si](CC[P+]([O-])(OCC)OCC)O[Si](CC[P+]([O-])(OCC)OCC)CC[P+]([O-])(OCC)OCC)OCC.
What is the InChIKey of CID 136814543?
The InChIKey is FUPCOFOAITVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O13P4Si2/c1-9-29-38(25,30-10-2)17-21-42(22-18-39(26,31-11-3)32-12-4)37-43(23-19-40(27,33-13-5)34-14-6)24-20-41(28,35-15-7)36-16-8/h9-24H2,1-8H3.
What are the key properties of CID 136814543?
CID 136814543 has a molecular weight of 732.77 g/mol, XLogP of 3.77, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136814543 is sourced from PubChem (CID 136814543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).