lithium 5-methylcyclopenten-1-olate

C6H9LiO — CID 23719264

IUPAClithium 5-methylcyclopenten-1-olate
SMILESCC1CCC=C1[O-].[Li+]
InChIInChI=1S/C6H10O.Li/c1-5-3-2-4-6(5)7;/h4-5,7H,2-3H2,1H3;/q;+1/p-1
InChIKeyOGKHTSFGTZAKQQ-UHFFFAOYSA-M
MW104.08 g/mol
LogP-2.34
Rot. Bonds

About lithium 5-methylcyclopenten-1-olate

lithium 5-methylcyclopenten-1-olate (PubChem CID 23719264) has the molecular formula C6H9LiO and a molecular weight of 104.08 g/mol. Its IUPAC name is lithium 5-methylcyclopenten-1-olate.

Molecular Properties

Compound Namelithium 5-methylcyclopenten-1-olate
PubChem CID23719264
Molecular FormulaC6H9LiO
Molecular Weight104.08 g/mol
Exact Mass104.08
IUPAC Namelithium 5-methylcyclopenten-1-olate
SMILESCC1CCC=C1[O-].[Li+]
InChIInChI=1S/C6H10O.Li/c1-5-3-2-4-6(5)7;/h4-5,7H,2-3H2,1H3;/q;+1/p-1
InChIKeyOGKHTSFGTZAKQQ-UHFFFAOYSA-M
XLogP-2.34
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methylcyclopenten-1-olate?
The IUPAC name of lithium 5-methylcyclopenten-1-olate (CID 23719264) is lithium 5-methylcyclopenten-1-olate.
What is the SMILES notation for lithium 5-methylcyclopenten-1-olate?
The canonical SMILES for lithium 5-methylcyclopenten-1-olate is CC1CCC=C1[O-].[Li+].
What is the InChIKey of lithium 5-methylcyclopenten-1-olate?
The InChIKey is OGKHTSFGTZAKQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.Li/c1-5-3-2-4-6(5)7;/h4-5,7H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of lithium 5-methylcyclopenten-1-olate?
lithium 5-methylcyclopenten-1-olate has a molecular weight of 104.08 g/mol, XLogP of -2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methylcyclopenten-1-olate is sourced from PubChem (CID 23719264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).