1,3,2-dioxaluminane

C3H7AlO2 — CID 142606496

IUPAC1,3,2-dioxaluminane
SMILESC1CO[AlH]OC1
InChIInChI=1S/C3H6O2.Al.H/c4-2-1-3-5;;/h1-3H2;;/q-2;+2;
InChIKeyADHQCJXUWHZGOC-UHFFFAOYSA-N
MW102.07 g/mol
LogP-0.31
Rot. Bonds

About 1,3,2-dioxaluminane

1,3,2-dioxaluminane (PubChem CID 142606496) has the molecular formula C3H7AlO2 and a molecular weight of 102.07 g/mol. Its IUPAC name is 1,3,2-dioxaluminane.

Molecular Properties

Compound Name1,3,2-dioxaluminane
PubChem CID142606496
Molecular FormulaC3H7AlO2
Molecular Weight102.07 g/mol
Exact Mass102.03
IUPAC Name1,3,2-dioxaluminane
SMILESC1CO[AlH]OC1
InChIInChI=1S/C3H6O2.Al.H/c4-2-1-3-5;;/h1-3H2;;/q-2;+2;
InChIKeyADHQCJXUWHZGOC-UHFFFAOYSA-N
XLogP-0.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,10,14-tetraoxacyclooctadecane
CID 57048709
azane;dioxolane
CID 173091565
3-tert-butyl-1,7,3,2-dioxazalumecane
CID 156656275
trioxane
CID 88655753
carbon dioxide;oxetane
CID 175222774
aluminum;hydride;oxolane
CID 174249769
acetylene;oxolane
CID 67285190
methane;2-methylpropane;oxetane
CID 160642963
aluminum;lithium;hydride;oxolane
CID 68718528
CID 139213530
CID 139213530
bis(trioxane);hydrobromide
CID 87292211
aluminum;lithium;hydride;oxolane
CID 68813815

Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxaluminane?
The IUPAC name of 1,3,2-dioxaluminane (CID 142606496) is 1,3,2-dioxaluminane.
What is the SMILES notation for 1,3,2-dioxaluminane?
The canonical SMILES for 1,3,2-dioxaluminane is C1CO[AlH]OC1.
What is the InChIKey of 1,3,2-dioxaluminane?
The InChIKey is ADHQCJXUWHZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Al.H/c4-2-1-3-5;;/h1-3H2;;/q-2;+2;.
What are the key properties of 1,3,2-dioxaluminane?
1,3,2-dioxaluminane has a molecular weight of 102.07 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxaluminane is sourced from PubChem (CID 142606496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).