lithium (1R)-2-methylcyclopent-2-en-1-olate

C6H9LiO — CID 102224850

IUPAClithium (1R)-2-methylcyclopent-2-en-1-olate
SMILESCC1=CCC[C@H]1[O-].[Li+]
InChIInChI=1S/C6H9O.Li/c1-5-3-2-4-6(5)7;/h3,6H,2,4H2,1H3;/q-1;+1/t6-;/m1./s1
InChIKeyIRVGDYFWRQZXEZ-FYZOBXCZSA-N
MW104.08 g/mol
LogP-2.54
Rot. Bonds

About lithium (1R)-2-methylcyclopent-2-en-1-olate

lithium (1R)-2-methylcyclopent-2-en-1-olate (PubChem CID 102224850) has the molecular formula C6H9LiO and a molecular weight of 104.08 g/mol. Its IUPAC name is lithium (1R)-2-methylcyclopent-2-en-1-olate.

Molecular Properties

Compound Namelithium (1R)-2-methylcyclopent-2-en-1-olate
PubChem CID102224850
Molecular FormulaC6H9LiO
Molecular Weight104.08 g/mol
Exact Mass104.08
IUPAC Namelithium (1R)-2-methylcyclopent-2-en-1-olate
SMILESCC1=CCC[C@H]1[O-].[Li+]
InChIInChI=1S/C6H9O.Li/c1-5-3-2-4-6(5)7;/h3,6H,2,4H2,1H3;/q-1;+1/t6-;/m1./s1
InChIKeyIRVGDYFWRQZXEZ-FYZOBXCZSA-N
XLogP-2.54
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 ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl-(2-methylcyclopent-2-en-1-yl)alumane
CID 145373363
trimethyl-(2-methylcyclopent-2-en-1-yl)silane
CID 71333159
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
1,7-dimethylcycloheptene
CID 13493194
(2-methylcyclopent-2-en-1-yl) cyanate
CID 130191258
2-(2-methylcyclopent-2-en-1-yl)acetaldehyde
CID 59679584
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
lithium 5-methoxycyclopenten-1-olate
CID 134975847
1,6,7-trimethylcycloheptene
CID 91039124
[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
CID 67826097

Frequently Asked Questions

What is the IUPAC name of lithium (1R)-2-methylcyclopent-2-en-1-olate?
The IUPAC name of lithium (1R)-2-methylcyclopent-2-en-1-olate (CID 102224850) is lithium (1R)-2-methylcyclopent-2-en-1-olate.
What is the SMILES notation for lithium (1R)-2-methylcyclopent-2-en-1-olate?
The canonical SMILES for lithium (1R)-2-methylcyclopent-2-en-1-olate is CC1=CCC[C@H]1[O-].[Li+].
What is the InChIKey of lithium (1R)-2-methylcyclopent-2-en-1-olate?
The InChIKey is IRVGDYFWRQZXEZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H9O.Li/c1-5-3-2-4-6(5)7;/h3,6H,2,4H2,1H3;/q-1;+1/t6-;/m1./s1.
What are the key properties of lithium (1R)-2-methylcyclopent-2-en-1-olate?
lithium (1R)-2-methylcyclopent-2-en-1-olate has a molecular weight of 104.08 g/mol, XLogP of -2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1R)-2-methylcyclopent-2-en-1-olate is sourced from PubChem (CID 102224850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).