oxolane;tri(propan-2-yloxy)alumane

C13H29AlO4 — CID 22993282

IUPACoxolane;tri(propan-2-yloxy)alumane
SMILESC1CCOC1.CC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H8O.3C3H7O.Al/c1-2-4-5-3-1;3*1-3(2)4;/h1-4H2;3*3H,1-2H3;/q;3*-1;+3
InChIKeyXLBGSDDYCUUJTC-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.04
Rot. Bonds6

About oxolane;tri(propan-2-yloxy)alumane

oxolane;tri(propan-2-yloxy)alumane (PubChem CID 22993282) has the molecular formula C13H29AlO4 and a molecular weight of 276.35 g/mol. Its IUPAC name is oxolane;tri(propan-2-yloxy)alumane.

Molecular Properties

Compound Nameoxolane;tri(propan-2-yloxy)alumane
PubChem CID22993282
Molecular FormulaC13H29AlO4
Molecular Weight276.35 g/mol
Exact Mass276.19
IUPAC Nameoxolane;tri(propan-2-yloxy)alumane
SMILESC1CCOC1.CC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H8O.3C3H7O.Al/c1-2-4-5-3-1;3*1-3(2)4;/h1-4H2;3*3H,1-2H3;/q;3*-1;+3
InChIKeyXLBGSDDYCUUJTC-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropane;oxolane
CID 70603205
2-chloropropane;oxolane
CID 159770837
2-methylpropane;oxane
CID 91454058
ethane;2-methylpropane;oxane
CID 91157399
oxolane;propan-2-ol
CID 22597222
sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
CID 5255430
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
manganese;oxolane
CID 70504486
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083

Frequently Asked Questions

What is the IUPAC name of oxolane;tri(propan-2-yloxy)alumane?
The IUPAC name of oxolane;tri(propan-2-yloxy)alumane (CID 22993282) is oxolane;tri(propan-2-yloxy)alumane.
What is the SMILES notation for oxolane;tri(propan-2-yloxy)alumane?
The canonical SMILES for oxolane;tri(propan-2-yloxy)alumane is C1CCOC1.CC(C)O[Al](OC(C)C)OC(C)C.
What is the InChIKey of oxolane;tri(propan-2-yloxy)alumane?
The InChIKey is XLBGSDDYCUUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.3C3H7O.Al/c1-2-4-5-3-1;3*1-3(2)4;/h1-4H2;3*3H,1-2H3;/q;3*-1;+3.
What are the key properties of oxolane;tri(propan-2-yloxy)alumane?
oxolane;tri(propan-2-yloxy)alumane has a molecular weight of 276.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tri(propan-2-yloxy)alumane is sourced from PubChem (CID 22993282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).