CID 87575674

C9H21AlLiO3 — CID 87575674

IUPAC—
SMILESCCCO[Al](OCCC)OCCC.[Li]
InChIInChI=1S/3C3H7O.Al.Li/c3*1-2-3-4;;/h3*2-3H2,1H3;;/q3*-1;+3;
InChIKeyWKXVTKFVXAZZAM-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.87
Rot. Bonds9

About CID 87575674

CID 87575674 (PubChem CID 87575674) has the molecular formula C9H21AlLiO3 and a molecular weight of 211.19 g/mol.

Molecular Properties

Compound NameCID 87575674
PubChem CID87575674
Molecular FormulaC9H21AlLiO3
Molecular Weight211.19 g/mol
Exact Mass211.15
IUPAC Name—
SMILESCCCO[Al](OCCC)OCCC.[Li]
InChIInChI=1S/3C3H7O.Al.Li/c3*1-2-3-4;;/h3*2-3H2,1H3;;/q3*-1;+3;
InChIKeyWKXVTKFVXAZZAM-UHFFFAOYSA-N
XLogP1.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum butylate
CID 6451513
Aluminum tributoxide, 95%
CID 16684880
Aluminum tri-iso-propoxide
CID 16685055
Aluminum tri-sec-butoxide
CID 16685157
CID 16687730
CID 16687730
LiAlH2(OEt)2
CID 16688255
Aluminum isobutylate
CID 16689601
Trispropoxyaluminum
CID 16697137
Aluminum tris(propan-1-olate)
CID 10198143
(Butan-2-olato)bis(propan-2-olato)aluminium
CID 16684111
Dibutoxy(fluoro)alumane
CID 141565075
CID 134903335
CID 134903335

Frequently Asked Questions

What is the IUPAC name of CID 87575674?
The IUPAC name of CID 87575674 (CID 87575674) is not available.
What is the SMILES notation for CID 87575674?
The canonical SMILES for CID 87575674 is CCCO[Al](OCCC)OCCC.[Li].
What is the InChIKey of CID 87575674?
The InChIKey is WKXVTKFVXAZZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Al.Li/c3*1-2-3-4;;/h3*2-3H2,1H3;;/q3*-1;+3;.
What are the key properties of CID 87575674?
CID 87575674 has a molecular weight of 211.19 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87575674 is sourced from PubChem (CID 87575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).