butoxy(oxo)alumane

C4H9AlO2 — CID 21161651

IUPACbutoxy(oxo)alumane
SMILESCCCCO[Al]=O
InChIInChI=1S/C4H9O.Al.O/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;+1;
InChIKeyUTVNWOZABWDPAB-UHFFFAOYSA-N
MW116.10 g/mol
LogP0.77
Rot. Bonds4

About butoxy(oxo)alumane

butoxy(oxo)alumane (PubChem CID 21161651) has the molecular formula C4H9AlO2 and a molecular weight of 116.10 g/mol. Its IUPAC name is butoxy(oxo)alumane.

Molecular Properties

Compound Namebutoxy(oxo)alumane
PubChem CID21161651
Molecular FormulaC4H9AlO2
Molecular Weight116.10 g/mol
Exact Mass116.04
IUPAC Namebutoxy(oxo)alumane
SMILESCCCCO[Al]=O
InChIInChI=1S/C4H9O.Al.O/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;+1;
InChIKeyUTVNWOZABWDPAB-UHFFFAOYSA-N
XLogP0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aluminum butylate
CID 6451513
Aluminum tributoxide, 95%
CID 16684880
Aluminiumalkoholat
CID 16685041
Tripropoxyaluminum
CID 16697137
Butoxy(dimethyl)alumane
CID 16697704
Butoxyaluminium hydride
CID 87196395
Ethoxyalumoxane
CID 129760813
Dibutoxy(fluoro)alumane
CID 141565075
CID 16685223
CID 16685223
2-Methylpropoxy(oxo)alumane
CID 16693011
CID 16695488
CID 16695488
Dimethoxy(propan-2-yloxy)alumane
CID 16699909

Frequently Asked Questions

What is the IUPAC name of butoxy(oxo)alumane?
The IUPAC name of butoxy(oxo)alumane (CID 21161651) is butoxy(oxo)alumane.
What is the SMILES notation for butoxy(oxo)alumane?
The canonical SMILES for butoxy(oxo)alumane is CCCCO[Al]=O.
What is the InChIKey of butoxy(oxo)alumane?
The InChIKey is UTVNWOZABWDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.O/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;+1;.
What are the key properties of butoxy(oxo)alumane?
butoxy(oxo)alumane has a molecular weight of 116.10 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(oxo)alumane is sourced from PubChem (CID 21161651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).