CID 87239499

C4H10AlLiO2 — CID 87239499

IUPAC—
SMILESCCO[Al]OCC.[Li]
InChIInChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;
InChIKeyPVABQJBZCJNHGK-UHFFFAOYSA-N
MW124.05 g/mol
LogP0.21
Rot. Bonds4

About CID 87239499

CID 87239499 (PubChem CID 87239499) has the molecular formula C4H10AlLiO2 and a molecular weight of 124.05 g/mol.

Molecular Properties

Compound NameCID 87239499
PubChem CID87239499
Molecular FormulaC4H10AlLiO2
Molecular Weight124.05 g/mol
Exact Mass124.07
IUPAC Name—
SMILESCCO[Al]OCC.[Li]
InChIInChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;
InChIKeyPVABQJBZCJNHGK-UHFFFAOYSA-N
XLogP0.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.05
LogP ≤ 50.21
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 87239499?
The IUPAC name of CID 87239499 (CID 87239499) is not available.
What is the SMILES notation for CID 87239499?
The canonical SMILES for CID 87239499 is CCO[Al]OCC.[Li].
What is the InChIKey of CID 87239499?
The InChIKey is PVABQJBZCJNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Al.Li/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;.
What are the key properties of CID 87239499?
CID 87239499 has a molecular weight of 124.05 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87239499 is sourced from PubChem (CID 87239499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).