CID 165030833

C26H76N2Si6+2 — CID 165030833

IUPAC—
SMILESC=[N+](C)C.CN(C)C.C[Si](C)(C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.[CH2+][Si](C)(C)C
InChIInChI=1S/C4H12Si.C4H11Si.C3H9N.C3H8N.4C3H9Si/c2*1-5(2,3)4;6*1-4(2)3/h1-4H3;1H2,2-4H3;1-3H3;1H2,2-3H3;4*1-3H3/q;+1;;+1;;;;
InChIKeyXQVNCIIGPFMOOE-UHFFFAOYSA-N
MW585.42 g/mol
LogP9.27
Rot. Bonds

About CID 165030833

CID 165030833 (PubChem CID 165030833) has the molecular formula C26H76N2Si6+2 and a molecular weight of 585.42 g/mol.

Molecular Properties

Compound NameCID 165030833
PubChem CID165030833
Molecular FormulaC26H76N2Si6+2
Molecular Weight585.42 g/mol
Exact Mass584.46
IUPAC Name—
SMILESC=[N+](C)C.CN(C)C.C[Si](C)(C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.[CH2+][Si](C)(C)C
InChIInChI=1S/C4H12Si.C4H11Si.C3H9N.C3H8N.4C3H9Si/c2*1-5(2,3)4;6*1-4(2)3/h1-4H3;1H2,2-4H3;1-3H3;1H2,2-3H3;4*1-3H3/q;+1;;+1;;;;
InChIKeyXQVNCIIGPFMOOE-UHFFFAOYSA-N
XLogP9.27
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.42
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 165030833?
The IUPAC name of CID 165030833 (CID 165030833) is not available.
What is the SMILES notation for CID 165030833?
The canonical SMILES for CID 165030833 is C=[N+](C)C.CN(C)C.C[Si](C)(C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.C[Si](C)C.[CH2+][Si](C)(C)C.
What is the InChIKey of CID 165030833?
The InChIKey is XQVNCIIGPFMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12Si.C4H11Si.C3H9N.C3H8N.4C3H9Si/c2*1-5(2,3)4;6*1-4(2)3/h1-4H3;1H2,2-4H3;1-3H3;1H2,2-3H3;4*1-3H3/q;+1;;+1;;;;.
What are the key properties of CID 165030833?
CID 165030833 has a molecular weight of 585.42 g/mol, XLogP of 9.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165030833 is sourced from PubChem (CID 165030833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).