CID 71609464

C34H74N4O2Si3+4 — CID 71609464

IUPAC—
SMILESCCC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CCC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1
InChIInChI=1S/C34H74N4O2Si3/c1-7-29-42(31-25-35(3)17-9-10-18-35,32-26-36(4)19-11-12-20-36)39-41-40-43(30-8-2,33-27-37(5)21-13-14-22-37)34-28-38(6)23-15-16-24-38/h7-34H2,1-6H3/q+4
InChIKeyGUKCWXCQLHXGQZ-UHFFFAOYSA-N
MW655.25 g/mol
LogP6.23
Rot. Bonds20

About CID 71609464

CID 71609464 (PubChem CID 71609464) has the molecular formula C34H74N4O2Si3+4 and a molecular weight of 655.25 g/mol.

Molecular Properties

Compound NameCID 71609464
PubChem CID71609464
Molecular FormulaC34H74N4O2Si3+4
Molecular Weight655.25 g/mol
Exact Mass654.51
IUPAC Name—
SMILESCCC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CCC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1
InChIInChI=1S/C34H74N4O2Si3/c1-7-29-42(31-25-35(3)17-9-10-18-35,32-26-36(4)19-11-12-20-36)39-41-40-43(30-8-2,33-27-37(5)21-13-14-22-37)34-28-38(6)23-15-16-24-38/h7-34H2,1-6H3/q+4
InChIKeyGUKCWXCQLHXGQZ-UHFFFAOYSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.25
LogP ≤ 56.23
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 71609464?
The IUPAC name of CID 71609464 (CID 71609464) is not available.
What is the SMILES notation for CID 71609464?
The canonical SMILES for CID 71609464 is CCC[Si](CC[N+]1(C)CCCC1)(CC[N+]1(C)CCCC1)O[Si]O[Si](CCC)(CC[N+]1(C)CCCC1)CC[N+]1(C)CCCC1.
What is the InChIKey of CID 71609464?
The InChIKey is GUKCWXCQLHXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H74N4O2Si3/c1-7-29-42(31-25-35(3)17-9-10-18-35,32-26-36(4)19-11-12-20-36)39-41-40-43(30-8-2,33-27-37(5)21-13-14-22-37)34-28-38(6)23-15-16-24-38/h7-34H2,1-6H3/q+4.
What are the key properties of CID 71609464?
CID 71609464 has a molecular weight of 655.25 g/mol, XLogP of 6.23, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71609464 is sourced from PubChem (CID 71609464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).