di(propan-2-yloxy)alumanyl butanoate

C10H21AlO4 — CID 16713076

IUPACdi(propan-2-yloxy)alumanyl butanoate
SMILESCCCC(=O)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H8O2.2C3H7O.Al/c1-2-3-4(5)6;2*1-3(2)4;/h2-3H2,1H3,(H,5,6);2*3H,1-2H3;/q;2*-1;+3/p-1
InChIKeyXXPZMRWJOOFBJT-UHFFFAOYSA-M
MW232.26 g/mol
LogP2.16
Rot. Bonds7

About di(propan-2-yloxy)alumanyl butanoate

di(propan-2-yloxy)alumanyl butanoate (PubChem CID 16713076) has the molecular formula C10H21AlO4 and a molecular weight of 232.26 g/mol. Its IUPAC name is di(propan-2-yloxy)alumanyl butanoate.

Molecular Properties

Compound Namedi(propan-2-yloxy)alumanyl butanoate
PubChem CID16713076
Molecular FormulaC10H21AlO4
Molecular Weight232.26 g/mol
Exact Mass232.13
IUPAC Namedi(propan-2-yloxy)alumanyl butanoate
SMILESCCCC(=O)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H8O2.2C3H7O.Al/c1-2-3-4(5)6;2*1-3(2)4;/h2-3H2,1H3,(H,5,6);2*3H,1-2H3;/q;2*-1;+3/p-1
InChIKeyXXPZMRWJOOFBJT-UHFFFAOYSA-M
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aluminum di-s-butoxide acetoacetate
CID 16705246
Aluminium-Butyrat
CID 16717058
Di(propan-2-yloxy)alumanyl acetate
CID 16698875
[Acetyloxy(butan-2-yloxy)alumanyl] acetate
CID 16705346
Di(butan-2-yloxy)alumanyl acetate
CID 16707458
[Propanoyloxy(propan-2-yloxy)alumanyl] propanoate
CID 16707462
[Butan-2-yloxy(propanoyloxy)alumanyl] propanoate
CID 16707463
[Di(butanoyloxy)-propan-2-yloxysilyl] butanoate
CID 17997438
Diethoxyalumanyl butanoate
CID 17997490
[Butanoyloxy(propan-2-yloxy)alumanyl] butanoate
CID 17997491
Butan-2-yloxyaluminum(2+);propanoate
CID 18539488
Acetyloxyaluminum(2+);bis(propan-2-olate)
CID 18798494

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)alumanyl butanoate?
The IUPAC name of di(propan-2-yloxy)alumanyl butanoate (CID 16713076) is di(propan-2-yloxy)alumanyl butanoate.
What is the SMILES notation for di(propan-2-yloxy)alumanyl butanoate?
The canonical SMILES for di(propan-2-yloxy)alumanyl butanoate is CCCC(=O)O[Al](OC(C)C)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)alumanyl butanoate?
The InChIKey is XXPZMRWJOOFBJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.2C3H7O.Al/c1-2-3-4(5)6;2*1-3(2)4;/h2-3H2,1H3,(H,5,6);2*3H,1-2H3;/q;2*-1;+3/p-1.
What are the key properties of di(propan-2-yloxy)alumanyl butanoate?
di(propan-2-yloxy)alumanyl butanoate has a molecular weight of 232.26 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)alumanyl butanoate is sourced from PubChem (CID 16713076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).