lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate

C9H13LiO — CID 135082019

IUPAClithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC1(C)C2C=C([O-])C1CC2.[Li+]
InChIInChI=1S/C9H14O.Li/c1-9(2)6-3-4-7(9)8(10)5-6;/h5-7,10H,3-4H2,1-2H3;/q;+1/p-1
InChIKeyLCXCEHGOAOJWJH-UHFFFAOYSA-M
MW144.14 g/mol
LogP-1.70
Rot. Bonds

About lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate

lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate (PubChem CID 135082019) has the molecular formula C9H13LiO and a molecular weight of 144.14 g/mol. Its IUPAC name is lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate.

Molecular Properties

Compound Namelithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate
PubChem CID135082019
Molecular FormulaC9H13LiO
Molecular Weight144.14 g/mol
Exact Mass144.11
IUPAC Namelithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC1(C)C2C=C([O-])C1CC2.[Li+]
InChIInChI=1S/C9H14O.Li/c1-9(2)6-3-4-7(9)8(10)5-6;/h5-7,10H,3-4H2,1-2H3;/q;+1/p-1
InChIKeyLCXCEHGOAOJWJH-UHFFFAOYSA-M
XLogP-1.70
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate?
The IUPAC name of lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate (CID 135082019) is lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate.
What is the SMILES notation for lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate?
The canonical SMILES for lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate is CC1(C)C2C=C([O-])C1CC2.[Li+].
What is the InChIKey of lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate?
The InChIKey is LCXCEHGOAOJWJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14O.Li/c1-9(2)6-3-4-7(9)8(10)5-6;/h5-7,10H,3-4H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate?
lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate has a molecular weight of 144.14 g/mol, XLogP of -1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate is sourced from PubChem (CID 135082019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).