lithium bicyclo[2.1.1]hex-2-en-2-olate

C6H7LiO — CID 135050174

IUPAClithium bicyclo[2.1.1]hex-2-en-2-olate
SMILES[Li+].[O-]C1=CC2CC1C2
InChIInChI=1S/C6H8O.Li/c7-6-3-4-1-5(6)2-4;/h3-5,7H,1-2H2;/q;+1/p-1
InChIKeyPDYHHGATEHIBFX-UHFFFAOYSA-M
MW102.06 g/mol
LogP-2.73
Rot. Bonds

About lithium bicyclo[2.1.1]hex-2-en-2-olate

lithium bicyclo[2.1.1]hex-2-en-2-olate (PubChem CID 135050174) has the molecular formula C6H7LiO and a molecular weight of 102.06 g/mol. Its IUPAC name is lithium bicyclo[2.1.1]hex-2-en-2-olate.

Molecular Properties

Compound Namelithium bicyclo[2.1.1]hex-2-en-2-olate
PubChem CID135050174
Molecular FormulaC6H7LiO
Molecular Weight102.06 g/mol
Exact Mass102.07
IUPAC Namelithium bicyclo[2.1.1]hex-2-en-2-olate
SMILES[Li+].[O-]C1=CC2CC1C2
InChIInChI=1S/C6H8O.Li/c7-6-3-4-1-5(6)2-4;/h3-5,7H,1-2H2;/q;+1/p-1
InChIKeyPDYHHGATEHIBFX-UHFFFAOYSA-M
XLogP-2.73
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.06
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium bicyclo[2.1.1]hex-2-en-2-olate?
The IUPAC name of lithium bicyclo[2.1.1]hex-2-en-2-olate (CID 135050174) is lithium bicyclo[2.1.1]hex-2-en-2-olate.
What is the SMILES notation for lithium bicyclo[2.1.1]hex-2-en-2-olate?
The canonical SMILES for lithium bicyclo[2.1.1]hex-2-en-2-olate is [Li+].[O-]C1=CC2CC1C2.
What is the InChIKey of lithium bicyclo[2.1.1]hex-2-en-2-olate?
The InChIKey is PDYHHGATEHIBFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O.Li/c7-6-3-4-1-5(6)2-4;/h3-5,7H,1-2H2;/q;+1/p-1.
What are the key properties of lithium bicyclo[2.1.1]hex-2-en-2-olate?
lithium bicyclo[2.1.1]hex-2-en-2-olate has a molecular weight of 102.06 g/mol, XLogP of -2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bicyclo[2.1.1]hex-2-en-2-olate is sourced from PubChem (CID 135050174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).