propan-2-ol;tripropoxyalumane

C12H29AlO4 — CID 159839626

IUPACpropan-2-ol;tripropoxyalumane
SMILESCC(C)O.CCCO[Al](OCCC)OCCC
InChIInChI=1S/C3H8O.3C3H7O.Al/c1-3(2)4;3*1-2-3-4;/h3-4H,1-2H3;3*2-3H2,1H3;/q;3*-1;+3
InChIKeyNONAGSYFYNRJGW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.64
Rot. Bonds9

About propan-2-ol;tripropoxyalumane

propan-2-ol;tripropoxyalumane (PubChem CID 159839626) has the molecular formula C12H29AlO4 and a molecular weight of 264.34 g/mol. Its IUPAC name is propan-2-ol;tripropoxyalumane.

Molecular Properties

Compound Namepropan-2-ol;tripropoxyalumane
PubChem CID159839626
Molecular FormulaC12H29AlO4
Molecular Weight264.34 g/mol
Exact Mass264.19
IUPAC Namepropan-2-ol;tripropoxyalumane
SMILESCC(C)O.CCCO[Al](OCCC)OCCC
InChIInChI=1S/C3H8O.3C3H7O.Al/c1-3(2)4;3*1-2-3-4;/h3-4H,1-2H3;3*2-3H2,1H3;/q;3*-1;+3
InChIKeyNONAGSYFYNRJGW-UHFFFAOYSA-N
XLogP2.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-ol;tripropoxyalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;hydride;1-propoxyethanol
CID 174529104
dibromo(propoxy)alumane
CID 139634122
methane;propan-1-ol;propan-2-ol
CID 159586175
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
CID 87932046
octane;propan-2-ol
CID 160746796
methyl-propoxy-propylalumane
CID 59936800
1-methoxypropane;propane-1,1-diol
CID 174611080
O-ethylhydroxylamine;propan-2-ol
CID 174873596
(2R,3R)-2,3-dipropoxybutane
CID 118445331
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
1-propoxypropan-1-ol;hydrate
CID 174406445

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;tripropoxyalumane?
The IUPAC name of propan-2-ol;tripropoxyalumane (CID 159839626) is propan-2-ol;tripropoxyalumane.
What is the SMILES notation for propan-2-ol;tripropoxyalumane?
The canonical SMILES for propan-2-ol;tripropoxyalumane is CC(C)O.CCCO[Al](OCCC)OCCC.
What is the InChIKey of propan-2-ol;tripropoxyalumane?
The InChIKey is NONAGSYFYNRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3C3H7O.Al/c1-3(2)4;3*1-2-3-4;/h3-4H,1-2H3;3*2-3H2,1H3;/q;3*-1;+3.
What are the key properties of propan-2-ol;tripropoxyalumane?
propan-2-ol;tripropoxyalumane has a molecular weight of 264.34 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;tripropoxyalumane is sourced from PubChem (CID 159839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).