CID 71609443

C44H94N4O2Si3+4 — CID 71609443

IUPAC—
SMILESCCCC[Si](CCC[N+]1(C)CCCCC1)(CCC[N+]1(C)CCCCC1)O[Si]O[Si](CCCC)(CCC[N+]1(C)CCCCC1)CCC[N+]1(C)CCCCC1
InChIInChI=1S/C44H94N4O2Si3/c1-7-9-39-52(41-23-35-45(3)27-15-11-16-28-45,42-24-36-46(4)29-17-12-18-30-46)49-51-50-53(40-10-8-2,43-25-37-47(5)31-19-13-20-32-47)44-26-38-48(6)33-21-14-22-34-48/h7-44H2,1-6H3/q+4
InChIKeyMGZUIUMHAUYYHC-UHFFFAOYSA-N
MW795.52 g/mol
LogP10.13
Rot. Bonds26

About CID 71609443

CID 71609443 (PubChem CID 71609443) has the molecular formula C44H94N4O2Si3+4 and a molecular weight of 795.52 g/mol.

Molecular Properties

Compound NameCID 71609443
PubChem CID71609443
Molecular FormulaC44H94N4O2Si3+4
Molecular Weight795.52 g/mol
Exact Mass794.67
IUPAC Name—
SMILESCCCC[Si](CCC[N+]1(C)CCCCC1)(CCC[N+]1(C)CCCCC1)O[Si]O[Si](CCCC)(CCC[N+]1(C)CCCCC1)CCC[N+]1(C)CCCCC1
InChIInChI=1S/C44H94N4O2Si3/c1-7-9-39-52(41-23-35-45(3)27-15-11-16-28-45,42-24-36-46(4)29-17-12-18-30-46)49-51-50-53(40-10-8-2,43-25-37-47(5)31-19-13-20-32-47)44-26-38-48(6)33-21-14-22-34-48/h7-44H2,1-6H3/q+4
InChIKeyMGZUIUMHAUYYHC-UHFFFAOYSA-N
XLogP10.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.52
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 71609464
CID 71609464
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CID 44612945
1-methyl-1-nonylpyrrolidin-1-ium
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triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane
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1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-[3-(4-butoxyphenoxy)propyl]-1-methylazocan-1-ium;yttrium
CID 160824149
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016

Frequently Asked Questions

What is the IUPAC name of CID 71609443?
The IUPAC name of CID 71609443 (CID 71609443) is not available.
What is the SMILES notation for CID 71609443?
The canonical SMILES for CID 71609443 is CCCC[Si](CCC[N+]1(C)CCCCC1)(CCC[N+]1(C)CCCCC1)O[Si]O[Si](CCCC)(CCC[N+]1(C)CCCCC1)CCC[N+]1(C)CCCCC1.
What is the InChIKey of CID 71609443?
The InChIKey is MGZUIUMHAUYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H94N4O2Si3/c1-7-9-39-52(41-23-35-45(3)27-15-11-16-28-45,42-24-36-46(4)29-17-12-18-30-46)49-51-50-53(40-10-8-2,43-25-37-47(5)31-19-13-20-32-47)44-26-38-48(6)33-21-14-22-34-48/h7-44H2,1-6H3/q+4.
What are the key properties of CID 71609443?
CID 71609443 has a molecular weight of 795.52 g/mol, XLogP of 10.13, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71609443 is sourced from PubChem (CID 71609443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).