CID 87760959

C3H7AlNaO2 — CID 87760959

IUPAC—
SMILESCOCCO[Al].[Na]
InChIInChI=1S/C3H7O2.Al.Na/c1-5-3-2-4;;/h2-3H2,1H3;;/q-1;+1;
InChIKeyARNOKMUSHGOJQZ-UHFFFAOYSA-N
MW125.06 g/mol
LogP-0.65
Rot. Bonds3

About CID 87760959

CID 87760959 (PubChem CID 87760959) has the molecular formula C3H7AlNaO2 and a molecular weight of 125.06 g/mol.

Molecular Properties

Compound NameCID 87760959
PubChem CID87760959
Molecular FormulaC3H7AlNaO2
Molecular Weight125.06 g/mol
Exact Mass125.02
IUPAC Name—
SMILESCOCCO[Al].[Na]
InChIInChI=1S/C3H7O2.Al.Na/c1-5-3-2-4;;/h2-3H2,1H3;;/q-1;+1;
InChIKeyARNOKMUSHGOJQZ-UHFFFAOYSA-N
XLogP-0.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.06
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87760959?
The IUPAC name of CID 87760959 (CID 87760959) is not available.
What is the SMILES notation for CID 87760959?
The canonical SMILES for CID 87760959 is COCCO[Al].[Na].
What is the InChIKey of CID 87760959?
The InChIKey is ARNOKMUSHGOJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Al.Na/c1-5-3-2-4;;/h2-3H2,1H3;;/q-1;+1;.
What are the key properties of CID 87760959?
CID 87760959 has a molecular weight of 125.06 g/mol, XLogP of -0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87760959 is sourced from PubChem (CID 87760959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).