tris(7-methyloctyl)alumane

C27H57Al — CID 156702571

IUPACtris(7-methyloctyl)alumane
SMILESCC(C)CCCCCC[Al](CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/3C9H19.Al/c3*1-4-5-6-7-8-9(2)3;/h3*9H,1,4-8H2,2-3H3;
InChIKeyPDPRRIIOFBZPHL-UHFFFAOYSA-N
MW408.74 g/mol
LogP10.30
Rot. Bonds21

About tris(7-methyloctyl)alumane

tris(7-methyloctyl)alumane (PubChem CID 156702571) has the molecular formula C27H57Al and a molecular weight of 408.74 g/mol. Its IUPAC name is tris(7-methyloctyl)alumane.

Molecular Properties

Compound Nametris(7-methyloctyl)alumane
PubChem CID156702571
Molecular FormulaC27H57Al
Molecular Weight408.74 g/mol
Exact Mass408.43
IUPAC Nametris(7-methyloctyl)alumane
SMILESCC(C)CCCCCC[Al](CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/3C9H19.Al/c3*1-4-5-6-7-8-9(2)3;/h3*9H,1,4-8H2,2-3H3;
InChIKeyPDPRRIIOFBZPHL-UHFFFAOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methylnonyl-bis(2-methylpropyl)alumane
CID 173009634
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
8-[8-dimethylsilyloctyl(9-methyldecyl)alumanyl]octyl-dimethylsilane;hexyl(dimethyl)silane;methanol
CID 158409046
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
22-methyltricosylphosphanium bromide
CID 87821946
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
CID 151699977
CID 151699977

Frequently Asked Questions

What is the IUPAC name of tris(7-methyloctyl)alumane?
The IUPAC name of tris(7-methyloctyl)alumane (CID 156702571) is tris(7-methyloctyl)alumane.
What is the SMILES notation for tris(7-methyloctyl)alumane?
The canonical SMILES for tris(7-methyloctyl)alumane is CC(C)CCCCCC[Al](CCCCCCC(C)C)CCCCCCC(C)C.
What is the InChIKey of tris(7-methyloctyl)alumane?
The InChIKey is PDPRRIIOFBZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19.Al/c3*1-4-5-6-7-8-9(2)3;/h3*9H,1,4-8H2,2-3H3;.
What are the key properties of tris(7-methyloctyl)alumane?
tris(7-methyloctyl)alumane has a molecular weight of 408.74 g/mol, XLogP of 10.30, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(7-methyloctyl)alumane is sourced from PubChem (CID 156702571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).