bis(2-methylpropyl)-(1-propoxyethoxy)alumane

C13H29AlO2 — CID 139905267

IUPACbis(2-methylpropyl)-(1-propoxyethoxy)alumane
SMILESCCCOC(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C5H11O2.2C4H9.Al/c1-3-4-7-5(2)6;2*1-4(2)3;/h5H,3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMDWWEFNXYUEVJC-UHFFFAOYSA-N
MW244.35 g/mol
LogP4.08
Rot. Bonds9

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

bis(2-methylpropyl)-(1-propoxyethoxy)alumane (PubChem CID 139905267) has the molecular formula C13H29AlO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is bis(2-methylpropyl)-(1-propoxyethoxy)alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-(1-propoxyethoxy)alumane
PubChem CID139905267
Molecular FormulaC13H29AlO2
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Namebis(2-methylpropyl)-(1-propoxyethoxy)alumane
SMILESCCCOC(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C5H11O2.2C4H9.Al/c1-3-4-7-5(2)6;2*1-4(2)3;/h5H,3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMDWWEFNXYUEVJC-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-(1-propoxyethoxy)alumane?
The IUPAC name of bis(2-methylpropyl)-(1-propoxyethoxy)alumane (CID 139905267) is bis(2-methylpropyl)-(1-propoxyethoxy)alumane.
What is the SMILES notation for bis(2-methylpropyl)-(1-propoxyethoxy)alumane?
The canonical SMILES for bis(2-methylpropyl)-(1-propoxyethoxy)alumane is CCCOC(C)O[Al](CC(C)C)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)-(1-propoxyethoxy)alumane?
The InChIKey is MDWWEFNXYUEVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.2C4H9.Al/c1-3-4-7-5(2)6;2*1-4(2)3;/h5H,3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of bis(2-methylpropyl)-(1-propoxyethoxy)alumane?
bis(2-methylpropyl)-(1-propoxyethoxy)alumane has a molecular weight of 244.35 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-(1-propoxyethoxy)alumane is sourced from PubChem (CID 139905267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).