CID 87760960

C3H8AlNaO2 — CID 87760960

IUPAC—
SMILESCOC(C)O[Al].[H-].[Na+]
InChIInChI=1S/C3H7O2.Al.Na.H/c1-3(4)5-2;;;/h3H,1-2H3;;;/q-1;2*+1;-1
InChIKeyAFOJBWROFDCIIV-UHFFFAOYSA-N
MW126.07 g/mol
LogP-2.80
Rot. Bonds2

About CID 87760960

CID 87760960 (PubChem CID 87760960) has the molecular formula C3H8AlNaO2 and a molecular weight of 126.07 g/mol.

Molecular Properties

Compound NameCID 87760960
PubChem CID87760960
Molecular FormulaC3H8AlNaO2
Molecular Weight126.07 g/mol
Exact Mass126.02
IUPAC Name—
SMILESCOC(C)O[Al].[H-].[Na+]
InChIInChI=1S/C3H7O2.Al.Na.H/c1-3(4)5-2;;;/h3H,1-2H3;;;/q-1;2*+1;-1
InChIKeyAFOJBWROFDCIIV-UHFFFAOYSA-N
XLogP-2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.07
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87760960?
The IUPAC name of CID 87760960 (CID 87760960) is not available.
What is the SMILES notation for CID 87760960?
The canonical SMILES for CID 87760960 is COC(C)O[Al].[H-].[Na+].
What is the InChIKey of CID 87760960?
The InChIKey is AFOJBWROFDCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Al.Na.H/c1-3(4)5-2;;;/h3H,1-2H3;;;/q-1;2*+1;-1.
What are the key properties of CID 87760960?
CID 87760960 has a molecular weight of 126.07 g/mol, XLogP of -2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87760960 is sourced from PubChem (CID 87760960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).