CID 71310797

C12H27AlLiO — CID 71310797

IUPAC—
SMILESCC(C)C[Al-](CC(C)C)OC(C)(C)C.[Li+]
InChIInChI=1S/C4H9O.2C4H9.Al.Li/c1-4(2,3)5;2*1-4(2)3;;/h1-3H3;2*4H,1H2,2-3H3;;/q-1;;;;+1
InChIKeyHTCGTPMYJVLOJV-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.11
Rot. Bonds5

About CID 71310797

CID 71310797 (PubChem CID 71310797) has the molecular formula C12H27AlLiO and a molecular weight of 221.27 g/mol.

Molecular Properties

Compound NameCID 71310797
PubChem CID71310797
Molecular FormulaC12H27AlLiO
Molecular Weight221.27 g/mol
Exact Mass221.20
IUPAC Name—
SMILESCC(C)C[Al-](CC(C)C)OC(C)(C)C.[Li+]
InChIInChI=1S/C4H9O.2C4H9.Al.Li/c1-4(2,3)5;2*1-4(2)3;;/h1-3H3;2*4H,1H2,2-3H3;;/q-1;;;;+1
InChIKeyHTCGTPMYJVLOJV-UHFFFAOYSA-N
XLogP1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 71310797 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 71310797?
The IUPAC name of CID 71310797 (CID 71310797) is not available.
What is the SMILES notation for CID 71310797?
The canonical SMILES for CID 71310797 is CC(C)C[Al-](CC(C)C)OC(C)(C)C.[Li+].
What is the InChIKey of CID 71310797?
The InChIKey is HTCGTPMYJVLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al.Li/c1-4(2,3)5;2*1-4(2)3;;/h1-3H3;2*4H,1H2,2-3H3;;/q-1;;;;+1.
What are the key properties of CID 71310797?
CID 71310797 has a molecular weight of 221.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71310797 is sourced from PubChem (CID 71310797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).