CID 71609415

C36H78N4O2Si3+4 — CID 71609415

IUPAC—
SMILESCC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C
InChIInChI=1S/C36H78N4O2Si3/c1-11-44(29-21-33-17-13-25-37(33,3)4,30-22-34-18-14-26-38(34,5)6)41-43-42-45(12-2,31-23-35-19-15-27-39(35,7)8)32-24-36-20-16-28-40(36,9)10/h33-36H,11-32H2,1-10H3/q+4
InChIKeyKDXXGGLBINWEKG-UHFFFAOYSA-N
MW683.30 g/mol
LogP7.00
Rot. Bonds18

About CID 71609415

CID 71609415 (PubChem CID 71609415) has the molecular formula C36H78N4O2Si3+4 and a molecular weight of 683.30 g/mol.

Molecular Properties

Compound NameCID 71609415
PubChem CID71609415
Molecular FormulaC36H78N4O2Si3+4
Molecular Weight683.30 g/mol
Exact Mass682.54
IUPAC Name—
SMILESCC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C
InChIInChI=1S/C36H78N4O2Si3/c1-11-44(29-21-33-17-13-25-37(33,3)4,30-22-34-18-14-26-38(34,5)6)41-43-42-45(12-2,31-23-35-19-15-27-39(35,7)8)32-24-36-20-16-28-40(36,9)10/h33-36H,11-32H2,1-10H3/q+4
InChIKeyKDXXGGLBINWEKG-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.30
LogP ≤ 57.00
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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Frequently Asked Questions

What is the IUPAC name of CID 71609415?
The IUPAC name of CID 71609415 (CID 71609415) is not available.
What is the SMILES notation for CID 71609415?
The canonical SMILES for CID 71609415 is CC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C.
What is the InChIKey of CID 71609415?
The InChIKey is KDXXGGLBINWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78N4O2Si3/c1-11-44(29-21-33-17-13-25-37(33,3)4,30-22-34-18-14-26-38(34,5)6)41-43-42-45(12-2,31-23-35-19-15-27-39(35,7)8)32-24-36-20-16-28-40(36,9)10/h33-36H,11-32H2,1-10H3/q+4.
What are the key properties of CID 71609415?
CID 71609415 has a molecular weight of 683.30 g/mol, XLogP of 7.00, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71609415 is sourced from PubChem (CID 71609415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).