tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane

C30H51Al — CID 16693929

IUPACtris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane
SMILESCC1(C)[C@H]2CC[C@@H](C[Al](C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)[C@@H]1C2
InChIInChI=1S/3C10H17.Al/c3*1-7-4-5-8-6-9(7)10(8,2)3;/h3*7-9H,1,4-6H2,2-3H3;/t3*7-,8+,9+;/m111./s1
InChIKeyRMLQLLZGXSUJBK-XECPZNCYSA-N
MW438.72 g/mol
LogP8.70
Rot. Bonds6

About tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane

tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane (PubChem CID 16693929) has the molecular formula C30H51Al and a molecular weight of 438.72 g/mol. Its IUPAC name is tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane.

Molecular Properties

Compound Nametris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane
PubChem CID16693929
Molecular FormulaC30H51Al
Molecular Weight438.72 g/mol
Exact Mass438.38
IUPAC Nametris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane
SMILESCC1(C)[C@H]2CC[C@@H](C[Al](C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)[C@@H]1C2
InChIInChI=1S/3C10H17.Al/c3*1-7-4-5-8-6-9(7)10(8,2)3;/h3*7-9H,1,4-6H2,2-3H3;/t3*7-,8+,9+;/m111./s1
InChIKeyRMLQLLZGXSUJBK-XECPZNCYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.72
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane 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 tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane?
The IUPAC name of tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane (CID 16693929) is tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane.
What is the SMILES notation for tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane?
The canonical SMILES for tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane is CC1(C)[C@H]2CC[C@@H](C[Al](C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)[C@@H]1C2.
What is the InChIKey of tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane?
The InChIKey is RMLQLLZGXSUJBK-XECPZNCYSA-N. The full InChI is InChI=1S/3C10H17.Al/c3*1-7-4-5-8-6-9(7)10(8,2)3;/h3*7-9H,1,4-6H2,2-3H3;/t3*7-,8+,9+;/m111./s1.
What are the key properties of tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane?
tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane has a molecular weight of 438.72 g/mol, XLogP of 8.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]alumane is sourced from PubChem (CID 16693929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).