dimethyl(propan-2-yloxy)alumane

C5H13AlO — CID 16687539

IUPACdimethyl(propan-2-yloxy)alumane
SMILESCC(C)O[Al](C)C
InChIInChI=1S/C3H7O.2CH3.Al/c1-3(2)4;;;/h3H,1-2H3;2*1H3;/q-1;;;+1
InChIKeyHJYACKPVJCHPFH-UHFFFAOYSA-N
MW116.14 g/mol
LogP1.66
Rot. Bonds2

About dimethyl(propan-2-yloxy)alumane

dimethyl(propan-2-yloxy)alumane (PubChem CID 16687539) has the molecular formula C5H13AlO and a molecular weight of 116.14 g/mol. Its IUPAC name is dimethyl(propan-2-yloxy)alumane.

Molecular Properties

Compound Namedimethyl(propan-2-yloxy)alumane
PubChem CID16687539
Molecular FormulaC5H13AlO
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Namedimethyl(propan-2-yloxy)alumane
SMILESCC(C)O[Al](C)C
InChIInChI=1S/C3H7O.2CH3.Al/c1-3(2)4;;;/h3H,1-2H3;2*1H3;/q-1;;;+1
InChIKeyHJYACKPVJCHPFH-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl(propan-2-yloxy)alumane?
The IUPAC name of dimethyl(propan-2-yloxy)alumane (CID 16687539) is dimethyl(propan-2-yloxy)alumane.
What is the SMILES notation for dimethyl(propan-2-yloxy)alumane?
The canonical SMILES for dimethyl(propan-2-yloxy)alumane is CC(C)O[Al](C)C.
What is the InChIKey of dimethyl(propan-2-yloxy)alumane?
The InChIKey is HJYACKPVJCHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.2CH3.Al/c1-3(2)4;;;/h3H,1-2H3;2*1H3;/q-1;;;+1.
What are the key properties of dimethyl(propan-2-yloxy)alumane?
dimethyl(propan-2-yloxy)alumane has a molecular weight of 116.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propan-2-yloxy)alumane is sourced from PubChem (CID 16687539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).