dihexyl(1-methoxybutoxy)alumane

C17H37AlO2 — CID 139905179

IUPACdihexyl(1-methoxybutoxy)alumane
SMILESCCCCCC[Al](CCCCCC)OC(CCC)OC
InChIInChI=1S/2C6H13.C5H11O2.Al/c2*1-3-5-6-4-2;1-3-4-5(6)7-2;/h2*1,3-6H2,2H3;5H,3-4H2,1-2H3;/q;;-1;+1
InChIKeyUKUCMMRYYKZBOA-UHFFFAOYSA-N
MW300.46 g/mol
LogP5.93
Rot. Bonds15

About dihexyl(1-methoxybutoxy)alumane

dihexyl(1-methoxybutoxy)alumane (PubChem CID 139905179) has the molecular formula C17H37AlO2 and a molecular weight of 300.46 g/mol. Its IUPAC name is dihexyl(1-methoxybutoxy)alumane.

Molecular Properties

Compound Namedihexyl(1-methoxybutoxy)alumane
PubChem CID139905179
Molecular FormulaC17H37AlO2
Molecular Weight300.46 g/mol
Exact Mass300.26
IUPAC Namedihexyl(1-methoxybutoxy)alumane
SMILESCCCCCC[Al](CCCCCC)OC(CCC)OC
InChIInChI=1S/2C6H13.C5H11O2.Al/c2*1-3-5-6-4-2;1-3-4-5(6)7-2;/h2*1,3-6H2,2H3;5H,3-4H2,1-2H3;/q;;-1;+1
InChIKeyUKUCMMRYYKZBOA-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihexyl(1-methoxybutoxy)alumane?
The IUPAC name of dihexyl(1-methoxybutoxy)alumane (CID 139905179) is dihexyl(1-methoxybutoxy)alumane.
What is the SMILES notation for dihexyl(1-methoxybutoxy)alumane?
The canonical SMILES for dihexyl(1-methoxybutoxy)alumane is CCCCCC[Al](CCCCCC)OC(CCC)OC.
What is the InChIKey of dihexyl(1-methoxybutoxy)alumane?
The InChIKey is UKUCMMRYYKZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.C5H11O2.Al/c2*1-3-5-6-4-2;1-3-4-5(6)7-2;/h2*1,3-6H2,2H3;5H,3-4H2,1-2H3;/q;;-1;+1.
What are the key properties of dihexyl(1-methoxybutoxy)alumane?
dihexyl(1-methoxybutoxy)alumane has a molecular weight of 300.46 g/mol, XLogP of 5.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(1-methoxybutoxy)alumane is sourced from PubChem (CID 139905179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).