CID 134978808

C10H22AlO2- — CID 134978808

IUPAC—
SMILESCCC(C)(C)O[Al-]OC(C)(C)CC
InChIInChI=1S/2C5H11O.Al/c2*1-4-5(2,3)6;/h2*4H2,1-3H3;/q2*-1;+1
InChIKeyJOQAFQWAHZBQOK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.93
Rot. Bonds6

About CID 134978808

CID 134978808 (PubChem CID 134978808) has the molecular formula C10H22AlO2- and a molecular weight of 201.27 g/mol.

Molecular Properties

Compound NameCID 134978808
PubChem CID134978808
Molecular FormulaC10H22AlO2-
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name—
SMILESCCC(C)(C)O[Al-]OC(C)(C)CC
InChIInChI=1S/2C5H11O.Al/c2*1-4-5(2,3)6;/h2*4H2,1-3H3;/q2*-1;+1
InChIKeyJOQAFQWAHZBQOK-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 134978808 with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
2-methyl-2-sulfanyloxybutane
CID 141118976
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
tris(2-methylbutan-2-yloxy)alumane
CID 18974578
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
CID 175267598
CID 175267598
2-methyl-2-(trideuteriomethoxy)butane
CID 71309614
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008

Frequently Asked Questions

What is the IUPAC name of CID 134978808?
The IUPAC name of CID 134978808 (CID 134978808) is not available.
What is the SMILES notation for CID 134978808?
The canonical SMILES for CID 134978808 is CCC(C)(C)O[Al-]OC(C)(C)CC.
What is the InChIKey of CID 134978808?
The InChIKey is JOQAFQWAHZBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11O.Al/c2*1-4-5(2,3)6;/h2*4H2,1-3H3;/q2*-1;+1.
What are the key properties of CID 134978808?
CID 134978808 has a molecular weight of 201.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978808 is sourced from PubChem (CID 134978808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).