lithium (3R)-3-methylcyclohexen-1-olate

C7H11LiO — CID 134905128

IUPAClithium (3R)-3-methylcyclohexen-1-olate
SMILESC[C@H]1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C7H12O.Li/c1-6-3-2-4-7(8)5-6;/h5-6,8H,2-4H2,1H3;/q;+1/p-1/t6-;/m1./s1
InChIKeyWHZKVGYLQOZQRG-FYZOBXCZSA-M
MW118.10 g/mol
LogP-1.95
Rot. Bonds

About lithium (3R)-3-methylcyclohexen-1-olate

lithium (3R)-3-methylcyclohexen-1-olate (PubChem CID 134905128) has the molecular formula C7H11LiO and a molecular weight of 118.10 g/mol. Its IUPAC name is lithium (3R)-3-methylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium (3R)-3-methylcyclohexen-1-olate
PubChem CID134905128
Molecular FormulaC7H11LiO
Molecular Weight118.10 g/mol
Exact Mass118.10
IUPAC Namelithium (3R)-3-methylcyclohexen-1-olate
SMILESC[C@H]1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C7H12O.Li/c1-6-3-2-4-7(8)5-6;/h5-6,8H,2-4H2,1H3;/q;+1/p-1/t6-;/m1./s1
InChIKeyWHZKVGYLQOZQRG-FYZOBXCZSA-M
XLogP-1.95
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium (3R)-3-methylcyclohexen-1-olate?
The IUPAC name of lithium (3R)-3-methylcyclohexen-1-olate (CID 134905128) is lithium (3R)-3-methylcyclohexen-1-olate.
What is the SMILES notation for lithium (3R)-3-methylcyclohexen-1-olate?
The canonical SMILES for lithium (3R)-3-methylcyclohexen-1-olate is C[C@H]1C=C([O-])CCC1.[Li+].
What is the InChIKey of lithium (3R)-3-methylcyclohexen-1-olate?
The InChIKey is WHZKVGYLQOZQRG-FYZOBXCZSA-M. The full InChI is InChI=1S/C7H12O.Li/c1-6-3-2-4-7(8)5-6;/h5-6,8H,2-4H2,1H3;/q;+1/p-1/t6-;/m1./s1.
What are the key properties of lithium (3R)-3-methylcyclohexen-1-olate?
lithium (3R)-3-methylcyclohexen-1-olate has a molecular weight of 118.10 g/mol, XLogP of -1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R)-3-methylcyclohexen-1-olate is sourced from PubChem (CID 134905128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).