heptane;trihexylalumane

C25H55Al — CID 22011139

IUPACheptane;trihexylalumane
SMILESCCCCCCC.CCCCCC[Al](CCCCCC)CCCCCC
InChIInChI=1S/C7H16.3C6H13.Al/c1-3-5-7-6-4-2;3*1-3-5-6-4-2;/h3-7H2,1-2H3;3*1,3-6H2,2H3;
InChIKeyHXBFCTJWJSOFAO-UHFFFAOYSA-N
MW382.70 g/mol
LogP10.20
Rot. Bonds19

About heptane;trihexylalumane

heptane;trihexylalumane (PubChem CID 22011139) has the molecular formula C25H55Al and a molecular weight of 382.70 g/mol. Its IUPAC name is heptane;trihexylalumane.

Molecular Properties

Compound Nameheptane;trihexylalumane
PubChem CID22011139
Molecular FormulaC25H55Al
Molecular Weight382.70 g/mol
Exact Mass382.41
IUPAC Nameheptane;trihexylalumane
SMILESCCCCCCC.CCCCCC[Al](CCCCCC)CCCCCC
InChIInChI=1S/C7H16.3C6H13.Al/c1-3-5-7-6-4-2;3*1-3-5-6-4-2;/h3-7H2,1-2H3;3*1,3-6H2,2H3;
InChIKeyHXBFCTJWJSOFAO-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.70
LogP ≤ 510.20
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

triethylalumane;trioctylalumane
CID 158774524
diethylalumanylium;tridodecylalumane;chloride
CID 87488123
oct-7-enyl(dioctyl)alumane
CID 164808978
dimethyl(nonadecyl)alumane
CID 142743873
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of heptane;trihexylalumane?
The IUPAC name of heptane;trihexylalumane (CID 22011139) is heptane;trihexylalumane.
What is the SMILES notation for heptane;trihexylalumane?
The canonical SMILES for heptane;trihexylalumane is CCCCCCC.CCCCCC[Al](CCCCCC)CCCCCC.
What is the InChIKey of heptane;trihexylalumane?
The InChIKey is HXBFCTJWJSOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.3C6H13.Al/c1-3-5-7-6-4-2;3*1-3-5-6-4-2;/h3-7H2,1-2H3;3*1,3-6H2,2H3;.
What are the key properties of heptane;trihexylalumane?
heptane;trihexylalumane has a molecular weight of 382.70 g/mol, XLogP of 10.20, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;trihexylalumane is sourced from PubChem (CID 22011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).