ethoxy(dipropoxy)alumane

C8H19AlO3 — CID 16705549

IUPACethoxy(dipropoxy)alumane
SMILESCCCO[Al](OCC)OCCC
InChIInChI=1S/2C3H7O.C2H5O.Al/c2*1-2-3-4;1-2-3;/h2*2-3H2,1H3;2H2,1H3;/q3*-1;+3
InChIKeyDHSJWJGMEZBIBL-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.86
Rot. Bonds8

About ethoxy(dipropoxy)alumane

ethoxy(dipropoxy)alumane (PubChem CID 16705549) has the molecular formula C8H19AlO3 and a molecular weight of 190.22 g/mol. Its IUPAC name is ethoxy(dipropoxy)alumane.

Molecular Properties

Compound Nameethoxy(dipropoxy)alumane
PubChem CID16705549
Molecular FormulaC8H19AlO3
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Nameethoxy(dipropoxy)alumane
SMILESCCCO[Al](OCC)OCCC
InChIInChI=1S/2C3H7O.C2H5O.Al/c2*1-2-3-4;1-2-3;/h2*2-3H2,1H3;2H2,1H3;/q3*-1;+3
InChIKeyDHSJWJGMEZBIBL-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxy(dipropoxy)alumane?
The IUPAC name of ethoxy(dipropoxy)alumane (CID 16705549) is ethoxy(dipropoxy)alumane.
What is the SMILES notation for ethoxy(dipropoxy)alumane?
The canonical SMILES for ethoxy(dipropoxy)alumane is CCCO[Al](OCC)OCCC.
What is the InChIKey of ethoxy(dipropoxy)alumane?
The InChIKey is DHSJWJGMEZBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.C2H5O.Al/c2*1-2-3-4;1-2-3;/h2*2-3H2,1H3;2H2,1H3;/q3*-1;+3.
What are the key properties of ethoxy(dipropoxy)alumane?
ethoxy(dipropoxy)alumane has a molecular weight of 190.22 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(dipropoxy)alumane is sourced from PubChem (CID 16705549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).