butoxy-methoxy-(1-methoxybutoxy)alumane

C10H23AlO4 — CID 87178757

IUPACbutoxy-methoxy-(1-methoxybutoxy)alumane
SMILESCCCCO[Al](OC)OC(CCC)OC
InChIInChI=1S/C5H11O2.C4H9O.CH3O.Al/c1-3-4-5(6)7-2;1-2-3-4-5;1-2;/h5H,3-4H2,1-2H3;2-4H2,1H3;1H3;/q3*-1;+3
InChIKeyFOARRGRQNKQLSR-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.22
Rot. Bonds10

About butoxy-methoxy-(1-methoxybutoxy)alumane

butoxy-methoxy-(1-methoxybutoxy)alumane (PubChem CID 87178757) has the molecular formula C10H23AlO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is butoxy-methoxy-(1-methoxybutoxy)alumane.

Molecular Properties

Compound Namebutoxy-methoxy-(1-methoxybutoxy)alumane
PubChem CID87178757
Molecular FormulaC10H23AlO4
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Namebutoxy-methoxy-(1-methoxybutoxy)alumane
SMILESCCCCO[Al](OC)OC(CCC)OC
InChIInChI=1S/C5H11O2.C4H9O.CH3O.Al/c1-3-4-5(6)7-2;1-2-3-4-5;1-2;/h5H,3-4H2,1-2H3;2-4H2,1H3;1H3;/q3*-1;+3
InChIKeyFOARRGRQNKQLSR-UHFFFAOYSA-N
XLogP2.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 butoxy-methoxy-(1-methoxybutoxy)alumane?
The IUPAC name of butoxy-methoxy-(1-methoxybutoxy)alumane (CID 87178757) is butoxy-methoxy-(1-methoxybutoxy)alumane.
What is the SMILES notation for butoxy-methoxy-(1-methoxybutoxy)alumane?
The canonical SMILES for butoxy-methoxy-(1-methoxybutoxy)alumane is CCCCO[Al](OC)OC(CCC)OC.
What is the InChIKey of butoxy-methoxy-(1-methoxybutoxy)alumane?
The InChIKey is FOARRGRQNKQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.C4H9O.CH3O.Al/c1-3-4-5(6)7-2;1-2-3-4-5;1-2;/h5H,3-4H2,1-2H3;2-4H2,1H3;1H3;/q3*-1;+3.
What are the key properties of butoxy-methoxy-(1-methoxybutoxy)alumane?
butoxy-methoxy-(1-methoxybutoxy)alumane has a molecular weight of 234.27 g/mol, XLogP of 2.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-methoxy-(1-methoxybutoxy)alumane is sourced from PubChem (CID 87178757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).