lithium cyclohexen-1-olate

C6H9LiO — CID 637938

IUPAClithium cyclohexen-1-olate
SMILES[Li+].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.Li/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1
InChIKeyUHWXLGRSTACLME-UHFFFAOYSA-M
MW104.08 g/mol
LogP-2.19
Rot. Bonds

About lithium cyclohexen-1-olate

lithium cyclohexen-1-olate (PubChem CID 637938) has the molecular formula C6H9LiO and a molecular weight of 104.08 g/mol. Its IUPAC name is lithium cyclohexen-1-olate.

Molecular Properties

Compound Namelithium cyclohexen-1-olate
PubChem CID637938
Molecular FormulaC6H9LiO
Molecular Weight104.08 g/mol
Exact Mass104.08
IUPAC Namelithium cyclohexen-1-olate
SMILES[Li+].[O-]C1=CCCCC1
InChIInChI=1S/C6H10O.Li/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1
InChIKeyUHWXLGRSTACLME-UHFFFAOYSA-M
XLogP-2.19
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 ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium cyclohexen-1-olate?
The IUPAC name of lithium cyclohexen-1-olate (CID 637938) is lithium cyclohexen-1-olate.
What is the SMILES notation for lithium cyclohexen-1-olate?
The canonical SMILES for lithium cyclohexen-1-olate is [Li+].[O-]C1=CCCCC1.
What is the InChIKey of lithium cyclohexen-1-olate?
The InChIKey is UHWXLGRSTACLME-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O.Li/c7-6-4-2-1-3-5-6;/h4,7H,1-3,5H2;/q;+1/p-1.
What are the key properties of lithium cyclohexen-1-olate?
lithium cyclohexen-1-olate has a molecular weight of 104.08 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexen-1-olate is sourced from PubChem (CID 637938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).