CID 71609466

C32H70N4O2Si3+4 — CID 71609466

IUPAC—
SMILESCC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1
InChIInChI=1S/C32H70N4O2Si3/c1-7-40(29-25-33(3)17-9-10-18-33,30-26-34(4)19-11-12-20-34)37-39-38-41(8-2,31-27-35(5)21-13-14-22-35)32-28-36(6)23-15-16-24-36/h7-32H2,1-6H3/q+4
InChIKeyHEFQEACZGAALHJ-UHFFFAOYSA-N
MW627.20 g/mol
LogP5.45
Rot. Bonds18

About CID 71609466

CID 71609466 (PubChem CID 71609466) has the molecular formula C32H70N4O2Si3+4 and a molecular weight of 627.20 g/mol.

Molecular Properties

Compound NameCID 71609466
PubChem CID71609466
Molecular FormulaC32H70N4O2Si3+4
Molecular Weight627.20 g/mol
Exact Mass626.48
IUPAC Name—
SMILESCC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1
InChIInChI=1S/C32H70N4O2Si3/c1-7-40(29-25-33(3)17-9-10-18-33,30-26-34(4)19-11-12-20-34)37-39-38-41(8-2,31-27-35(5)21-13-14-22-35)32-28-36(6)23-15-16-24-36/h7-32H2,1-6H3/q+4
InChIKeyHEFQEACZGAALHJ-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.20
LogP ≤ 55.45
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 71609466?
The IUPAC name of CID 71609466 (CID 71609466) is not available.
What is the SMILES notation for CID 71609466?
The canonical SMILES for CID 71609466 is CC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1.
What is the InChIKey of CID 71609466?
The InChIKey is HEFQEACZGAALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H70N4O2Si3/c1-7-40(29-25-33(3)17-9-10-18-33,30-26-34(4)19-11-12-20-34)37-39-38-41(8-2,31-27-35(5)21-13-14-22-35)32-28-36(6)23-15-16-24-36/h7-32H2,1-6H3/q+4.
What are the key properties of CID 71609466?
CID 71609466 has a molecular weight of 627.20 g/mol, XLogP of 5.45, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71609466 is sourced from PubChem (CID 71609466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).