CID 71609381

C38H82N4O2Si3+4 — CID 71609381

IUPAC—
SMILESCCC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CCC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C
InChIInChI=1S/C38H82N4O2Si3/c1-11-29-46(31-21-35-17-13-25-39(35,3)4,32-22-36-18-14-26-40(36,5)6)43-45-44-47(30-12-2,33-23-37-19-15-27-41(37,7)8)34-24-38-20-16-28-42(38,9)10/h35-38H,11-34H2,1-10H3/q+4
InChIKeyICFOMKVETJCSJE-UHFFFAOYSA-N
MW711.36 g/mol
LogP7.78
Rot. Bonds20

About CID 71609381

CID 71609381 (PubChem CID 71609381) has the molecular formula C38H82N4O2Si3+4 and a molecular weight of 711.36 g/mol.

Molecular Properties

Compound NameCID 71609381
PubChem CID71609381
Molecular FormulaC38H82N4O2Si3+4
Molecular Weight711.36 g/mol
Exact Mass710.57
IUPAC Name—
SMILESCCC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CCC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C
InChIInChI=1S/C38H82N4O2Si3/c1-11-29-46(31-21-35-17-13-25-39(35,3)4,32-22-36-18-14-26-40(36,5)6)43-45-44-47(30-12-2,33-23-37-19-15-27-41(37,7)8)34-24-38-20-16-28-42(38,9)10/h35-38H,11-34H2,1-10H3/q+4
InChIKeyICFOMKVETJCSJE-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.36
LogP ≤ 57.78
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 71609415
CID 71609415
CID 71609464
CID 71609464
CID 71609466
CID 71609466

Frequently Asked Questions

What is the IUPAC name of CID 71609381?
The IUPAC name of CID 71609381 (CID 71609381) is not available.
What is the SMILES notation for CID 71609381?
The canonical SMILES for CID 71609381 is CCC[Si](CCC1CCC[N+]1(C)C)(CCC1CCC[N+]1(C)C)O[Si]O[Si](CCC)(CCC1CCC[N+]1(C)C)CCC1CCC[N+]1(C)C.
What is the InChIKey of CID 71609381?
The InChIKey is ICFOMKVETJCSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H82N4O2Si3/c1-11-29-46(31-21-35-17-13-25-39(35,3)4,32-22-36-18-14-26-40(36,5)6)43-45-44-47(30-12-2,33-23-37-19-15-27-41(37,7)8)34-24-38-20-16-28-42(38,9)10/h35-38H,11-34H2,1-10H3/q+4.
What are the key properties of CID 71609381?
CID 71609381 has a molecular weight of 711.36 g/mol, XLogP of 7.78, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71609381 is sourced from PubChem (CID 71609381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).