1-butoxypropoxy-bis(2-methylpropyl)alumane

C15H33AlO2 — CID 139905186

IUPAC1-butoxypropoxy-bis(2-methylpropyl)alumane
SMILESCCCCOC(CC)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C7H15O2.2C4H9.Al/c1-3-5-6-9-7(8)4-2;2*1-4(2)3;/h7H,3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMUQIAEDMTXPVDK-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.86
Rot. Bonds11

About 1-butoxypropoxy-bis(2-methylpropyl)alumane

1-butoxypropoxy-bis(2-methylpropyl)alumane (PubChem CID 139905186) has the molecular formula C15H33AlO2 and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-butoxypropoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name1-butoxypropoxy-bis(2-methylpropyl)alumane
PubChem CID139905186
Molecular FormulaC15H33AlO2
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name1-butoxypropoxy-bis(2-methylpropyl)alumane
SMILESCCCCOC(CC)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C7H15O2.2C4H9.Al/c1-3-5-6-9-7(8)4-2;2*1-4(2)3;/h7H,3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMUQIAEDMTXPVDK-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.86
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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Related Compounds

bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
1-ethoxypropoxy-bis(2-methylpropyl)alumane
CID 139905156
diethyl(1-octoxypropoxy)alumane
CID 139905167
bis(2-methylpropyl)-(1-propoxyethoxy)alumane
CID 139905267
1-methoxybutoxy-bis(2-methylpropyl)alumane
CID 139905152
butan-2-yloxy-bis(2-methylpropyl)alumane
CID 16699071
1,1,4,4-tetrabutoxybutane
CID 139887225
1-(1-propoxypropoxy)hexane
CID 89482622
1-hexoxybutoxy(dihexyl)alumane
CID 139905130
1-butoxypropyl methyl carbonate
CID 87247964
1-butan-2-yloxy-1-butoxybutane
CID 19964023
N-(1-butoxypropoxy)butan-1-amine
CID 173191717

Frequently Asked Questions

What is the IUPAC name of 1-butoxypropoxy-bis(2-methylpropyl)alumane?
The IUPAC name of 1-butoxypropoxy-bis(2-methylpropyl)alumane (CID 139905186) is 1-butoxypropoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for 1-butoxypropoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for 1-butoxypropoxy-bis(2-methylpropyl)alumane is CCCCOC(CC)O[Al](CC(C)C)CC(C)C.
What is the InChIKey of 1-butoxypropoxy-bis(2-methylpropyl)alumane?
The InChIKey is MUQIAEDMTXPVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2.2C4H9.Al/c1-3-5-6-9-7(8)4-2;2*1-4(2)3;/h7H,3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 1-butoxypropoxy-bis(2-methylpropyl)alumane?
1-butoxypropoxy-bis(2-methylpropyl)alumane has a molecular weight of 272.41 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 139905186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).