lithium 5,5-dimethylcyclopenten-1-olate

C7H11LiO — CID 100967957

IUPAClithium 5,5-dimethylcyclopenten-1-olate
SMILESCC1(C)CCC=C1[O-].[Li+]
InChIInChI=1S/C7H12O.Li/c1-7(2)5-3-4-6(7)8;/h4,8H,3,5H2,1-2H3;/q;+1/p-1
InChIKeyISOIPURKLMOOBA-UHFFFAOYSA-M
MW118.10 g/mol
LogP-1.95
Rot. Bonds

About lithium 5,5-dimethylcyclopenten-1-olate

lithium 5,5-dimethylcyclopenten-1-olate (PubChem CID 100967957) has the molecular formula C7H11LiO and a molecular weight of 118.10 g/mol. Its IUPAC name is lithium 5,5-dimethylcyclopenten-1-olate.

Molecular Properties

Compound Namelithium 5,5-dimethylcyclopenten-1-olate
PubChem CID100967957
Molecular FormulaC7H11LiO
Molecular Weight118.10 g/mol
Exact Mass118.10
IUPAC Namelithium 5,5-dimethylcyclopenten-1-olate
SMILESCC1(C)CCC=C1[O-].[Li+]
InChIInChI=1S/C7H12O.Li/c1-7(2)5-3-4-6(7)8;/h4,8H,3,5H2,1-2H3;/q;+1/p-1
InChIKeyISOIPURKLMOOBA-UHFFFAOYSA-M
XLogP-1.95
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 5,5-dimethylcyclopenten-1-olate?
The IUPAC name of lithium 5,5-dimethylcyclopenten-1-olate (CID 100967957) is lithium 5,5-dimethylcyclopenten-1-olate.
What is the SMILES notation for lithium 5,5-dimethylcyclopenten-1-olate?
The canonical SMILES for lithium 5,5-dimethylcyclopenten-1-olate is CC1(C)CCC=C1[O-].[Li+].
What is the InChIKey of lithium 5,5-dimethylcyclopenten-1-olate?
The InChIKey is ISOIPURKLMOOBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O.Li/c1-7(2)5-3-4-6(7)8;/h4,8H,3,5H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 5,5-dimethylcyclopenten-1-olate?
lithium 5,5-dimethylcyclopenten-1-olate has a molecular weight of 118.10 g/mol, XLogP of -1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5,5-dimethylcyclopenten-1-olate is sourced from PubChem (CID 100967957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).