CID 16685223

C6H14AlO2 — CID 16685223

IUPAC—
SMILESCC(C)O[Al]OC(C)C
InChIInChI=1S/2C3H7O.Al/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyRXBKHYQKLHJOMS-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.37
Rot. Bonds4

About CID 16685223

CID 16685223 (PubChem CID 16685223) has the molecular formula C6H14AlO2 and a molecular weight of 145.16 g/mol.

Molecular Properties

Compound NameCID 16685223
PubChem CID16685223
Molecular FormulaC6H14AlO2
Molecular Weight145.16 g/mol
Exact Mass145.08
IUPAC Name—
SMILESCC(C)O[Al]OC(C)C
InChIInChI=1S/2C3H7O.Al/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyRXBKHYQKLHJOMS-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 16685223 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 16685223?
The IUPAC name of CID 16685223 (CID 16685223) is not available.
What is the SMILES notation for CID 16685223?
The canonical SMILES for CID 16685223 is CC(C)O[Al]OC(C)C.
What is the InChIKey of CID 16685223?
The InChIKey is RXBKHYQKLHJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Al/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of CID 16685223?
CID 16685223 has a molecular weight of 145.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16685223 is sourced from PubChem (CID 16685223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).