CID 16695182

C8H18AlO2 — CID 16695182

IUPAC—
SMILESCC(C)CO[Al]OCC(C)C
InChIInChI=1S/2C4H9O.Al/c2*1-4(2)3-5;/h2*4H,3H2,1-2H3;/q2*-1;+2
InChIKeyXMSXZNPDSKTEQW-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.87
Rot. Bonds6

About CID 16695182

CID 16695182 (PubChem CID 16695182) has the molecular formula C8H18AlO2 and a molecular weight of 173.21 g/mol.

Molecular Properties

Compound NameCID 16695182
PubChem CID16695182
Molecular FormulaC8H18AlO2
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name—
SMILESCC(C)CO[Al]OCC(C)C
InChIInChI=1S/2C4H9O.Al/c2*1-4(2)3-5;/h2*4H,3H2,1-2H3;/q2*-1;+2
InChIKeyXMSXZNPDSKTEQW-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 16695182 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 16695182?
The IUPAC name of CID 16695182 (CID 16695182) is not available.
What is the SMILES notation for CID 16695182?
The canonical SMILES for CID 16695182 is CC(C)CO[Al]OCC(C)C.
What is the InChIKey of CID 16695182?
The InChIKey is XMSXZNPDSKTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Al/c2*1-4(2)3-5;/h2*4H,3H2,1-2H3;/q2*-1;+2.
What are the key properties of CID 16695182?
CID 16695182 has a molecular weight of 173.21 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16695182 is sourced from PubChem (CID 16695182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).