CID 87189895

C4H9AlLiO — CID 87189895

IUPAC—
SMILESCC(C)(C)O[Al].[Li]
InChIInChI=1S/C4H9O.Al.Li/c1-4(2,3)5;;/h1-3H3;;/q-1;+1;
InChIKeyVKMBMFOUOSHHTF-UHFFFAOYSA-N
MW107.04 g/mol
LogP0.50
Rot. Bonds

About CID 87189895

CID 87189895 (PubChem CID 87189895) has the molecular formula C4H9AlLiO and a molecular weight of 107.04 g/mol.

Molecular Properties

Compound NameCID 87189895
PubChem CID87189895
Molecular FormulaC4H9AlLiO
Molecular Weight107.04 g/mol
Exact Mass107.06
IUPAC Name—
SMILESCC(C)(C)O[Al].[Li]
InChIInChI=1S/C4H9O.Al.Li/c1-4(2,3)5;;/h1-3H3;;/q-1;+1;
InChIKeyVKMBMFOUOSHHTF-UHFFFAOYSA-N
XLogP0.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.04
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87189895?
The IUPAC name of CID 87189895 (CID 87189895) is not available.
What is the SMILES notation for CID 87189895?
The canonical SMILES for CID 87189895 is CC(C)(C)O[Al].[Li].
What is the InChIKey of CID 87189895?
The InChIKey is VKMBMFOUOSHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.Li/c1-4(2,3)5;;/h1-3H3;;/q-1;+1;.
What are the key properties of CID 87189895?
CID 87189895 has a molecular weight of 107.04 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87189895 is sourced from PubChem (CID 87189895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).