lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate

C10H15LiO — CID 23661855

IUPAClithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC1(C)[C@H]2C=C([O-])[C@]1(C)CC2.[Li+]
InChIInChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1/t7-,10+;/m1./s1
InChIKeyHPWPAPVTYIRVSK-QJVKKXMWSA-M
MW158.17 g/mol
LogP-1.31
Rot. Bonds

About lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate

lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate (PubChem CID 23661855) has the molecular formula C10H15LiO and a molecular weight of 158.17 g/mol. Its IUPAC name is lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate.

Molecular Properties

Compound Namelithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
PubChem CID23661855
Molecular FormulaC10H15LiO
Molecular Weight158.17 g/mol
Exact Mass158.13
IUPAC Namelithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
SMILESCC1(C)[C@H]2C=C([O-])[C@]1(C)CC2.[Li+]
InChIInChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1/t7-,10+;/m1./s1
InChIKeyHPWPAPVTYIRVSK-QJVKKXMWSA-M
XLogP-1.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate with MolForge

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Related Compounds

Trimethyl[(1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)oxy]silane
CID 12507206
Bornenol
CID 12610764
Dehydroborneol
CID 12647283
7,7-Dimethyl-2-methoxy-norborn-2-ene
CID 91748660
trimethyl-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
CID 10036844
trimethyl-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
CID 11770112
Lithium 1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
CID 23672454
trimethyl-[[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
CID 134894231
sodium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate
CID 134895879
Lithium 7,7-dimethylbicyclo[2.2.1]hept-2-en-2-olate
CID 135082019
2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 15739039
CID 23710740
CID 23710740

Frequently Asked Questions

What is the IUPAC name of lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The IUPAC name of lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate (CID 23661855) is lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate.
What is the SMILES notation for lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The canonical SMILES for lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate is CC1(C)[C@H]2C=C([O-])[C@]1(C)CC2.[Li+].
What is the InChIKey of lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
The InChIKey is HPWPAPVTYIRVSK-QJVKKXMWSA-M. The full InChI is InChI=1S/C10H16O.Li/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h6-7,11H,4-5H2,1-3H3;/q;+1/p-1/t7-,10+;/m1./s1.
What are the key properties of lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate?
lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate has a molecular weight of 158.17 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-olate is sourced from PubChem (CID 23661855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).