dibutoxy(butyl)alumane

C12H27AlO2 — CID 16703602

IUPACdibutoxy(butyl)alumane
SMILESCCCCO[Al](CCCC)OCCCC
InChIInChI=1S/2C4H9O.C4H9.Al/c2*1-2-3-4-5;1-3-4-2;/h2*2-4H2,1H3;1,3-4H2,2H3;/q2*-1;;+2
InChIKeyBPAKOEKWULCPND-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.91
Rot. Bonds11

About dibutoxy(butyl)alumane

dibutoxy(butyl)alumane (PubChem CID 16703602) has the molecular formula C12H27AlO2 and a molecular weight of 230.33 g/mol. Its IUPAC name is dibutoxy(butyl)alumane.

Molecular Properties

Compound Namedibutoxy(butyl)alumane
PubChem CID16703602
Molecular FormulaC12H27AlO2
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Namedibutoxy(butyl)alumane
SMILESCCCCO[Al](CCCC)OCCCC
InChIInChI=1S/2C4H9O.C4H9.Al/c2*1-2-3-4-5;1-3-4-2;/h2*2-4H2,1H3;1,3-4H2,2H3;/q2*-1;;+2
InChIKeyBPAKOEKWULCPND-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of dibutoxy(butyl)alumane?
The IUPAC name of dibutoxy(butyl)alumane (CID 16703602) is dibutoxy(butyl)alumane.
What is the SMILES notation for dibutoxy(butyl)alumane?
The canonical SMILES for dibutoxy(butyl)alumane is CCCCO[Al](CCCC)OCCCC.
What is the InChIKey of dibutoxy(butyl)alumane?
The InChIKey is BPAKOEKWULCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.C4H9.Al/c2*1-2-3-4-5;1-3-4-2;/h2*2-4H2,1H3;1,3-4H2,2H3;/q2*-1;;+2.
What are the key properties of dibutoxy(butyl)alumane?
dibutoxy(butyl)alumane has a molecular weight of 230.33 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(butyl)alumane is sourced from PubChem (CID 16703602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).