lithium 3-ethenylcyclopenten-1-olate

C7H9LiO — CID 23716281

IUPAClithium 3-ethenylcyclopenten-1-olate
SMILESC=CC1C=C([O-])CC1.[Li+]
InChIInChI=1S/C7H10O.Li/c1-2-6-3-4-7(8)5-6;/h2,5-6,8H,1,3-4H2;/q;+1/p-1
InChIKeyBLSDDVUTMPJUJC-UHFFFAOYSA-M
MW116.09 g/mol
LogP-2.17
Rot. Bonds1

About lithium 3-ethenylcyclopenten-1-olate

lithium 3-ethenylcyclopenten-1-olate (PubChem CID 23716281) has the molecular formula C7H9LiO and a molecular weight of 116.09 g/mol. Its IUPAC name is lithium 3-ethenylcyclopenten-1-olate.

Molecular Properties

Compound Namelithium 3-ethenylcyclopenten-1-olate
PubChem CID23716281
Molecular FormulaC7H9LiO
Molecular Weight116.09 g/mol
Exact Mass116.08
IUPAC Namelithium 3-ethenylcyclopenten-1-olate
SMILESC=CC1C=C([O-])CC1.[Li+]
InChIInChI=1S/C7H10O.Li/c1-2-6-3-4-7(8)5-6;/h2,5-6,8H,1,3-4H2;/q;+1/p-1
InChIKeyBLSDDVUTMPJUJC-UHFFFAOYSA-M
XLogP-2.17
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-2.17
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-ethenylcyclopenten-1-olate?
The IUPAC name of lithium 3-ethenylcyclopenten-1-olate (CID 23716281) is lithium 3-ethenylcyclopenten-1-olate.
What is the SMILES notation for lithium 3-ethenylcyclopenten-1-olate?
The canonical SMILES for lithium 3-ethenylcyclopenten-1-olate is C=CC1C=C([O-])CC1.[Li+].
What is the InChIKey of lithium 3-ethenylcyclopenten-1-olate?
The InChIKey is BLSDDVUTMPJUJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O.Li/c1-2-6-3-4-7(8)5-6;/h2,5-6,8H,1,3-4H2;/q;+1/p-1.
What are the key properties of lithium 3-ethenylcyclopenten-1-olate?
lithium 3-ethenylcyclopenten-1-olate has a molecular weight of 116.09 g/mol, XLogP of -2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-ethenylcyclopenten-1-olate is sourced from PubChem (CID 23716281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).