CID 102264657

C18H30N4Si2+2 — CID 102264657

IUPAC—
SMILES[Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1
InChIInChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2
InChIKeyOQBNOUQGYFCCFD-UHFFFAOYSA-N
MW358.64 g/mol
LogP2.08
Rot. Bonds13

About CID 102264657

CID 102264657 (PubChem CID 102264657) has the molecular formula C18H30N4Si2+2 and a molecular weight of 358.64 g/mol.

Molecular Properties

Compound NameCID 102264657
PubChem CID102264657
Molecular FormulaC18H30N4Si2+2
Molecular Weight358.64 g/mol
Exact Mass358.20
IUPAC Name—
SMILES[Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1
InChIInChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2
InChIKeyOQBNOUQGYFCCFD-UHFFFAOYSA-N
XLogP2.08
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1,3-bis(6-methylheptyl)imidazol-1-ium
CID 87129414
1,3-dioctylimidazol-1-ium bromide
CID 141246153
1,3-dioctylimidazol-1-ium fluoride
CID 141499000
1-hexadecyl-3-tetradecylimidazol-1-ium bromide
CID 166517209
1,3-di(icosyl)imidazol-1-ium bromide
CID 162511816

Frequently Asked Questions

What is the IUPAC name of CID 102264657?
The IUPAC name of CID 102264657 (CID 102264657) is not available.
What is the SMILES notation for CID 102264657?
The canonical SMILES for CID 102264657 is [Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1.
What is the InChIKey of CID 102264657?
The InChIKey is OQBNOUQGYFCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2.
What are the key properties of CID 102264657?
CID 102264657 has a molecular weight of 358.64 g/mol, XLogP of 2.08, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102264657 is sourced from PubChem (CID 102264657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).