lithium 3-methylcyclopenten-1-olate

C6H9LiO — CID 135083435

IUPAClithium 3-methylcyclopenten-1-olate
SMILESCC1C=C([O-])CC1.[Li+]
InChIInChI=1S/C6H10O.Li/c1-5-2-3-6(7)4-5;/h4-5,7H,2-3H2,1H3;/q;+1/p-1
InChIKeyIRBGKUMRKCYRCH-UHFFFAOYSA-M
MW104.08 g/mol
LogP-2.34
Rot. Bonds

About lithium 3-methylcyclopenten-1-olate

lithium 3-methylcyclopenten-1-olate (PubChem CID 135083435) has the molecular formula C6H9LiO and a molecular weight of 104.08 g/mol. Its IUPAC name is lithium 3-methylcyclopenten-1-olate.

Molecular Properties

Compound Namelithium 3-methylcyclopenten-1-olate
PubChem CID135083435
Molecular FormulaC6H9LiO
Molecular Weight104.08 g/mol
Exact Mass104.08
IUPAC Namelithium 3-methylcyclopenten-1-olate
SMILESCC1C=C([O-])CC1.[Li+]
InChIInChI=1S/C6H10O.Li/c1-5-2-3-6(7)4-5;/h4-5,7H,2-3H2,1H3;/q;+1/p-1
InChIKeyIRBGKUMRKCYRCH-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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Related Compounds

3-Methylcyclopent-1-en-1-ol
CID 67111347
5-Methylcyclopenten-1-ol
CID 12500656
Lithium 6-methylcyclohexen-1-olate
CID 23682383
Lithium 3-ethenylcyclopenten-1-olate
CID 23716281
Lithium 5-methylcyclopenten-1-olate
CID 23719264
Lithium 3-methylcyclohexen-1-olate
CID 100940055
Lithium 5,5-dimethylcyclopenten-1-olate
CID 100967957
lithium (3R)-3-[(E)-oct-1-enyl]cyclopenten-1-olate
CID 134894558
lithium (3R)-3-methylcyclohexen-1-olate
CID 134905128
lithium (5R)-5-methylcyclohexen-1-olate
CID 134975809
Lithium bicyclo[2.1.1]hex-2-en-2-olate
CID 135050174
Lithium 3-ethenyl-2-methylcyclopenten-1-olate
CID 135082011

Frequently Asked Questions

What is the IUPAC name of lithium 3-methylcyclopenten-1-olate?
The IUPAC name of lithium 3-methylcyclopenten-1-olate (CID 135083435) is lithium 3-methylcyclopenten-1-olate.
What is the SMILES notation for lithium 3-methylcyclopenten-1-olate?
The canonical SMILES for lithium 3-methylcyclopenten-1-olate is CC1C=C([O-])CC1.[Li+].
What is the InChIKey of lithium 3-methylcyclopenten-1-olate?
The InChIKey is IRBGKUMRKCYRCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.Li/c1-5-2-3-6(7)4-5;/h4-5,7H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of lithium 3-methylcyclopenten-1-olate?
lithium 3-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 3-methylcyclopenten-1-olate is sourced from PubChem (CID 135083435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).