methyl-bis(2-methylpropoxy)alumane

C9H21AlO2 — CID 16689597

IUPACmethyl-bis(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](C)OCC(C)C
InChIInChI=1S/2C4H9O.CH3.Al/c2*1-4(2)3-5;;/h2*4H,3H2,1-2H3;1H3;/q2*-1;;+2
InChIKeyDUDCQQSDUSZTNO-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.45
Rot. Bonds6

About methyl-bis(2-methylpropoxy)alumane

methyl-bis(2-methylpropoxy)alumane (PubChem CID 16689597) has the molecular formula C9H21AlO2 and a molecular weight of 188.25 g/mol. Its IUPAC name is methyl-bis(2-methylpropoxy)alumane.

Molecular Properties

Compound Namemethyl-bis(2-methylpropoxy)alumane
PubChem CID16689597
Molecular FormulaC9H21AlO2
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Namemethyl-bis(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](C)OCC(C)C
InChIInChI=1S/2C4H9O.CH3.Al/c2*1-4(2)3-5;;/h2*4H,3H2,1-2H3;1H3;/q2*-1;;+2
InChIKeyDUDCQQSDUSZTNO-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanol, 2-methyl-, aluminum salt (3:1)
CID 165121
Diisopropyl(propan-2-olato)aluminium
CID 16683981
Ethoxydiisobutylaluminium
CID 16684015
Aluminum isobutylate
CID 16689601
Butoxybis(2-methylpropyl)alumane
CID 16694179
Tripropoxyaluminum
CID 16697137
Diisobutylaluminum isobutoxide
CID 16705250
Diisobutylmethoxyaluminium
CID 16683935
Diethoxy(ethyl)alumane;ethoxy(diethyl)alumane
CID 16687491
2-Methylpropoxy(oxo)alumane
CID 16693011
CID 16695182
CID 16695182
Diethoxy(2-methylpropyl)alumane
CID 16697229

Frequently Asked Questions

What is the IUPAC name of methyl-bis(2-methylpropoxy)alumane?
The IUPAC name of methyl-bis(2-methylpropoxy)alumane (CID 16689597) is methyl-bis(2-methylpropoxy)alumane.
What is the SMILES notation for methyl-bis(2-methylpropoxy)alumane?
The canonical SMILES for methyl-bis(2-methylpropoxy)alumane is CC(C)CO[Al](C)OCC(C)C.
What is the InChIKey of methyl-bis(2-methylpropoxy)alumane?
The InChIKey is DUDCQQSDUSZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.CH3.Al/c2*1-4(2)3-5;;/h2*4H,3H2,1-2H3;1H3;/q2*-1;;+2.
What are the key properties of methyl-bis(2-methylpropoxy)alumane?
methyl-bis(2-methylpropoxy)alumane has a molecular weight of 188.25 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2-methylpropoxy)alumane is sourced from PubChem (CID 16689597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).