3-alumanyloxypropane-1,2-diol;hydrate

C3H11AlO4 — CID 175040136

IUPAC3-alumanyloxypropane-1,2-diol;hydrate
SMILESO.OCC(O)CO[AlH2]
InChIInChI=1S/C3H7O3.Al.H2O.2H/c4-1-3(6)2-5;;;;/h3-4,6H,1-2H2;;1H2;;/q-1;+1;;;
InChIKeyZHWHIVSRRVBJQH-UHFFFAOYSA-N
MW138.10 g/mol
LogP-2.92
Rot. Bonds3

About 3-alumanyloxypropane-1,2-diol;hydrate

3-alumanyloxypropane-1,2-diol;hydrate (PubChem CID 175040136) has the molecular formula C3H11AlO4 and a molecular weight of 138.10 g/mol. Its IUPAC name is 3-alumanyloxypropane-1,2-diol;hydrate.

Molecular Properties

Compound Name3-alumanyloxypropane-1,2-diol;hydrate
PubChem CID175040136
Molecular FormulaC3H11AlO4
Molecular Weight138.10 g/mol
Exact Mass138.05
IUPAC Name3-alumanyloxypropane-1,2-diol;hydrate
SMILESO.OCC(O)CO[AlH2]
InChIInChI=1S/C3H7O3.Al.H2O.2H/c4-1-3(6)2-5;;;;/h3-4,6H,1-2H2;;1H2;;/q-1;+1;;;
InChIKeyZHWHIVSRRVBJQH-UHFFFAOYSA-N
XLogP-2.92
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-2.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-alumanyloxypropane-1,2-diol;hydrate?
The IUPAC name of 3-alumanyloxypropane-1,2-diol;hydrate (CID 175040136) is 3-alumanyloxypropane-1,2-diol;hydrate.
What is the SMILES notation for 3-alumanyloxypropane-1,2-diol;hydrate?
The canonical SMILES for 3-alumanyloxypropane-1,2-diol;hydrate is O.OCC(O)CO[AlH2].
What is the InChIKey of 3-alumanyloxypropane-1,2-diol;hydrate?
The InChIKey is ZHWHIVSRRVBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3.Al.H2O.2H/c4-1-3(6)2-5;;;;/h3-4,6H,1-2H2;;1H2;;/q-1;+1;;;.
What are the key properties of 3-alumanyloxypropane-1,2-diol;hydrate?
3-alumanyloxypropane-1,2-diol;hydrate has a molecular weight of 138.10 g/mol, XLogP of -2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-alumanyloxypropane-1,2-diol;hydrate is sourced from PubChem (CID 175040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).