CID 134903335

C9H21AlLiO3 — CID 134903335

IUPAC—
SMILESCC(C)O[Al-](OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/3C3H7O.Al.Li/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;+2;+1
InChIKeyWXLISCNGFJWTBF-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.75
Rot. Bonds6

About CID 134903335

CID 134903335 (PubChem CID 134903335) has the molecular formula C9H21AlLiO3 and a molecular weight of 211.19 g/mol.

Molecular Properties

Compound NameCID 134903335
PubChem CID134903335
Molecular FormulaC9H21AlLiO3
Molecular Weight211.19 g/mol
Exact Mass211.15
IUPAC Name—
SMILESCC(C)O[Al-](OC(C)C)OC(C)C.[Li+]
InChIInChI=1S/3C3H7O.Al.Li/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;+2;+1
InChIKeyWXLISCNGFJWTBF-UHFFFAOYSA-N
XLogP-0.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Aluminum tri-iso-propoxide
CID 16685055
Aluminum(III) s-butoxide
CID 16685157
Tripropoxyaluminum
CID 16697137
Di-n-propylaluminium isopropoxide
CID 21502205
(Butan-2-olato)bis(propan-2-olato)aluminium
CID 16684111
CID 134978942
CID 134978942
CID 134992480
CID 134992480
Aluminum sec-butoxide, (-)-
CID 71587299
Aluminum sec-butoxide, (+)-
CID 71587331
CID 16685223
CID 16685223

Frequently Asked Questions

What is the IUPAC name of CID 134903335?
The IUPAC name of CID 134903335 (CID 134903335) is not available.
What is the SMILES notation for CID 134903335?
The canonical SMILES for CID 134903335 is CC(C)O[Al-](OC(C)C)OC(C)C.[Li+].
What is the InChIKey of CID 134903335?
The InChIKey is WXLISCNGFJWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Al.Li/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;+2;+1.
What are the key properties of CID 134903335?
CID 134903335 has a molecular weight of 211.19 g/mol, XLogP of -0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903335 is sourced from PubChem (CID 134903335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).