butoxyaluminum(2+);hydride

C4H11AlO — CID 18676810

IUPACbutoxyaluminum(2+);hydride
SMILESCCCCO[Al+2].[H-].[H-]
InChIInChI=1S/C4H9O.Al.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q-1;+3;2*-1
InChIKeyPSXKFGKYUPOUDU-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.11
Rot. Bonds3

About butoxyaluminum(2+);hydride

butoxyaluminum(2+);hydride (PubChem CID 18676810) has the molecular formula C4H11AlO and a molecular weight of 102.11 g/mol. Its IUPAC name is butoxyaluminum(2+);hydride.

Molecular Properties

Compound Namebutoxyaluminum(2+);hydride
PubChem CID18676810
Molecular FormulaC4H11AlO
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Namebutoxyaluminum(2+);hydride
SMILESCCCCO[Al+2].[H-].[H-]
InChIInChI=1S/C4H9O.Al.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q-1;+3;2*-1
InChIKeyPSXKFGKYUPOUDU-UHFFFAOYSA-N
XLogP1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Aluminum tributoxide, 95%
CID 16684880
Ethylaluminoxane
CID 23260925
n-Butoxy radical
CID 140467
Butan-1-olate
CID 12476378
Aluminium chloride butan-1-olate (1/2/1)
CID 16692734
Butoxy(dimethyl)alumane
CID 16697704
Diethylaluminum butoxide
CID 16710546
Methylalumoxane
CID 23511181
Butoxyaluminium hydride
CID 87196395
1-Fluorobutoxyalumane
CID 173604748
CID 16703709
CID 16703709
Dipropoxyalumanylium
CID 19596837

Frequently Asked Questions

What is the IUPAC name of butoxyaluminum(2+);hydride?
The IUPAC name of butoxyaluminum(2+);hydride (CID 18676810) is butoxyaluminum(2+);hydride.
What is the SMILES notation for butoxyaluminum(2+);hydride?
The canonical SMILES for butoxyaluminum(2+);hydride is CCCCO[Al+2].[H-].[H-].
What is the InChIKey of butoxyaluminum(2+);hydride?
The InChIKey is PSXKFGKYUPOUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q-1;+3;2*-1.
What are the key properties of butoxyaluminum(2+);hydride?
butoxyaluminum(2+);hydride has a molecular weight of 102.11 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxyaluminum(2+);hydride is sourced from PubChem (CID 18676810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).