tritert-butylalumane

C12H27Al — CID 16683952

IUPACtritert-butylalumane
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*1-3H3;
InChIKeyRTAKQLTYPVIOBZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.88
Rot. Bonds

About tritert-butylalumane

tritert-butylalumane (PubChem CID 16683952) has the molecular formula C12H27Al and a molecular weight of 198.33 g/mol. Its IUPAC name is tritert-butylalumane.

Molecular Properties

Compound Nametritert-butylalumane
PubChem CID16683952
Molecular FormulaC12H27Al
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Nametritert-butylalumane
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*1-3H3;
InChIKeyRTAKQLTYPVIOBZ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tritert-butylalumane 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

lithium;tritert-butylalumane;hydroxide
CID 175406578
CID 159458162
CID 159458162
tert-butyl(dimethyl)silane
CID 5072427
tert-butylaluminum(2+) difluoride
CID 87203786
disodium;chloromethane;sulfide
CID 175474867
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
tert-butyloxidanium
CID 59258481
tert-butyl(dipropyl)alumane
CID 139877781
6-tert-butylpentaborinine
CID 166568389
tris(ditert-butylazanide);lanthanum(3+)
CID 58403090
tert-butyl-bis(2-methylpropyl)alumane
CID 16696757

Frequently Asked Questions

What is the IUPAC name of tritert-butylalumane?
The IUPAC name of tritert-butylalumane (CID 16683952) is tritert-butylalumane.
What is the SMILES notation for tritert-butylalumane?
The canonical SMILES for tritert-butylalumane is CC(C)(C)[Al](C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butylalumane?
The InChIKey is RTAKQLTYPVIOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*1-3H3;.
What are the key properties of tritert-butylalumane?
tritert-butylalumane has a molecular weight of 198.33 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butylalumane is sourced from PubChem (CID 16683952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).