CID 175714794

C3H8AlO5Si — CID 175714794

IUPAC—
SMILESO=C(O)CC[Si](O)(O)O.[Al]
InChIInChI=1S/C3H8O5Si.Al/c4-3(5)1-2-9(6,7)8;/h6-8H,1-2H2,(H,4,5);
InChIKeyQWKGZBQQDGJUEI-UHFFFAOYSA-N
MW179.16 g/mol
LogP-2.00
Rot. Bonds3

About CID 175714794

CID 175714794 (PubChem CID 175714794) has the molecular formula C3H8AlO5Si and a molecular weight of 179.16 g/mol.

Molecular Properties

Compound NameCID 175714794
PubChem CID175714794
Molecular FormulaC3H8AlO5Si
Molecular Weight179.16 g/mol
Exact Mass179.00
IUPAC Name—
SMILESO=C(O)CC[Si](O)(O)O.[Al]
InChIInChI=1S/C3H8O5Si.Al/c4-3(5)1-2-9(6,7)8;/h6-8H,1-2H2,(H,4,5);
InChIKeyQWKGZBQQDGJUEI-UHFFFAOYSA-N
XLogP-2.00
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 141112137
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Frequently Asked Questions

What is the IUPAC name of CID 175714794?
The IUPAC name of CID 175714794 (CID 175714794) is not available.
What is the SMILES notation for CID 175714794?
The canonical SMILES for CID 175714794 is O=C(O)CC[Si](O)(O)O.[Al].
What is the InChIKey of CID 175714794?
The InChIKey is QWKGZBQQDGJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5Si.Al/c4-3(5)1-2-9(6,7)8;/h6-8H,1-2H2,(H,4,5);.
What are the key properties of CID 175714794?
CID 175714794 has a molecular weight of 179.16 g/mol, XLogP of -2.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175714794 is sourced from PubChem (CID 175714794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).