lithium 3-ethenyl-2-methylcyclopenten-1-olate

C8H11LiO — CID 135082011

IUPAClithium 3-ethenyl-2-methylcyclopenten-1-olate
SMILESC=CC1CCC([O-])=C1C.[Li+]
InChIInChI=1S/C8H12O.Li/c1-3-7-4-5-8(9)6(7)2;/h3,7,9H,1,4-5H2,2H3;/q;+1/p-1
InChIKeyXXTHMTCIZVKPSR-UHFFFAOYSA-M
MW130.12 g/mol
LogP-1.78
Rot. Bonds1

About lithium 3-ethenyl-2-methylcyclopenten-1-olate

lithium 3-ethenyl-2-methylcyclopenten-1-olate (PubChem CID 135082011) has the molecular formula C8H11LiO and a molecular weight of 130.12 g/mol. Its IUPAC name is lithium 3-ethenyl-2-methylcyclopenten-1-olate.

Molecular Properties

Compound Namelithium 3-ethenyl-2-methylcyclopenten-1-olate
PubChem CID135082011
Molecular FormulaC8H11LiO
Molecular Weight130.12 g/mol
Exact Mass130.10
IUPAC Namelithium 3-ethenyl-2-methylcyclopenten-1-olate
SMILESC=CC1CCC([O-])=C1C.[Li+]
InChIInChI=1S/C8H12O.Li/c1-3-7-4-5-8(9)6(7)2;/h3,7,9H,1,4-5H2,2H3;/q;+1/p-1
InChIKeyXXTHMTCIZVKPSR-UHFFFAOYSA-M
XLogP-1.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 3-ethenyl-2-methylcyclopenten-1-olate?
The IUPAC name of lithium 3-ethenyl-2-methylcyclopenten-1-olate (CID 135082011) is lithium 3-ethenyl-2-methylcyclopenten-1-olate.
What is the SMILES notation for lithium 3-ethenyl-2-methylcyclopenten-1-olate?
The canonical SMILES for lithium 3-ethenyl-2-methylcyclopenten-1-olate is C=CC1CCC([O-])=C1C.[Li+].
What is the InChIKey of lithium 3-ethenyl-2-methylcyclopenten-1-olate?
The InChIKey is XXTHMTCIZVKPSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O.Li/c1-3-7-4-5-8(9)6(7)2;/h3,7,9H,1,4-5H2,2H3;/q;+1/p-1.
What are the key properties of lithium 3-ethenyl-2-methylcyclopenten-1-olate?
lithium 3-ethenyl-2-methylcyclopenten-1-olate has a molecular weight of 130.12 g/mol, XLogP of -1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-ethenyl-2-methylcyclopenten-1-olate is sourced from PubChem (CID 135082011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).