CID 165103895

C6H24Al2O6Si — CID 165103895

IUPAC—
SMILESC.C.CCC.CO.O.O.O=[Al].O=[Si]=O.[Al]
InChIInChI=1S/C3H8.CH4O.2CH4.2Al.O2Si.2H2O.O/c1-3-2;1-2;;;;;1-3-2;;;/h3H2,1-2H3;2H,1H3;2*1H4;;;;2*1H2;
InChIKeyHLTHSJNCDCEHEU-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.85
Rot. Bonds

About CID 165103895

CID 165103895 (PubChem CID 165103895) has the molecular formula C6H24Al2O6Si and a molecular weight of 274.30 g/mol.

Molecular Properties

Compound NameCID 165103895
PubChem CID165103895
Molecular FormulaC6H24Al2O6Si
Molecular Weight274.30 g/mol
Exact Mass274.10
IUPAC Name—
SMILESC.C.CCC.CO.O.O.O=[Al].O=[Si]=O.[Al]
InChIInChI=1S/C3H8.CH4O.2CH4.2Al.O2Si.2H2O.O/c1-3-2;1-2;;;;;1-3-2;;;/h3H2,1-2H3;2H,1H3;2*1H4;;;;2*1H2;
InChIKeyHLTHSJNCDCEHEU-UHFFFAOYSA-N
XLogP-0.85
TPSA134.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165103895?
The IUPAC name of CID 165103895 (CID 165103895) is not available.
What is the SMILES notation for CID 165103895?
The canonical SMILES for CID 165103895 is C.C.CCC.CO.O.O.O=[Al].O=[Si]=O.[Al].
What is the InChIKey of CID 165103895?
The InChIKey is HLTHSJNCDCEHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CH4O.2CH4.2Al.O2Si.2H2O.O/c1-3-2;1-2;;;;;1-3-2;;;/h3H2,1-2H3;2H,1H3;2*1H4;;;;2*1H2;.
What are the key properties of CID 165103895?
CID 165103895 has a molecular weight of 274.30 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165103895 is sourced from PubChem (CID 165103895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).