butan-2-yloxyalumane

C4H11AlO — CID 173404497

IUPACbutan-2-yloxyalumane
SMILESCCC(C)O[AlH2]
InChIInChI=1S/C4H9O.Al.2H/c1-3-4(2)5;;;/h4H,3H2,1-2H3;;;/q-1;+1;;
InChIKeyNYVGRADTOIQFJS-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.35
Rot. Bonds2

About butan-2-yloxyalumane

butan-2-yloxyalumane (PubChem CID 173404497) has the molecular formula C4H11AlO and a molecular weight of 102.11 g/mol. Its IUPAC name is butan-2-yloxyalumane.

Molecular Properties

Compound Namebutan-2-yloxyalumane
PubChem CID173404497
Molecular FormulaC4H11AlO
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Namebutan-2-yloxyalumane
SMILESCCC(C)O[AlH2]
InChIInChI=1S/C4H9O.Al.2H/c1-3-4(2)5;;;/h4H,3H2,1-2H3;;;/q-1;+1;;
InChIKeyNYVGRADTOIQFJS-UHFFFAOYSA-N
XLogP0.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxyalumane?
The IUPAC name of butan-2-yloxyalumane (CID 173404497) is butan-2-yloxyalumane.
What is the SMILES notation for butan-2-yloxyalumane?
The canonical SMILES for butan-2-yloxyalumane is CCC(C)O[AlH2].
What is the InChIKey of butan-2-yloxyalumane?
The InChIKey is NYVGRADTOIQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.2H/c1-3-4(2)5;;;/h4H,3H2,1-2H3;;;/q-1;+1;;.
What are the key properties of butan-2-yloxyalumane?
butan-2-yloxyalumane has a molecular weight of 102.11 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxyalumane is sourced from PubChem (CID 173404497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).