lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate

C8H13LiO — CID 23666726

IUPAClithium (3R,5S)-3,5-dimethylcyclohexen-1-olate
SMILESC[C@@H]1CC([O-])=C[C@H](C)C1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-6-3-7(2)5-8(9)4-6;/h4,6-7,9H,3,5H2,1-2H3;/q;+1/p-1/t6-,7+;/m1./s1
InChIKeyNYHMCFRNXGUUAT-HHQFNNIRSA-M
MW132.13 g/mol
LogP-1.70
Rot. Bonds

About lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate

lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate (PubChem CID 23666726) has the molecular formula C8H13LiO and a molecular weight of 132.13 g/mol. Its IUPAC name is lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium (3R,5S)-3,5-dimethylcyclohexen-1-olate
PubChem CID23666726
Molecular FormulaC8H13LiO
Molecular Weight132.13 g/mol
Exact Mass132.11
IUPAC Namelithium (3R,5S)-3,5-dimethylcyclohexen-1-olate
SMILESC[C@@H]1CC([O-])=C[C@H](C)C1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-6-3-7(2)5-8(9)4-6;/h4,6-7,9H,3,5H2,1-2H3;/q;+1/p-1/t6-,7+;/m1./s1
InChIKeyNYHMCFRNXGUUAT-HHQFNNIRSA-M
XLogP-1.70
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-3-methylcyclohexene
CID 519381
3-Methylcyclohexanolen
CID 14489841
Lithium 6-methylcyclohexen-1-olate
CID 23682383
6-Fluoro-3,5-dimethylcyclohexen-1-ol
CID 68095038
[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
CID 168879608
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
Potassium 6-methylcyclohexen-1-olate
CID 23685818
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561
Lithium 3-butylcyclohexen-1-olate
CID 23713748
4-Ethyl cyclohexenol
CID 86004407
Lithium 3-methylcyclohexen-1-olate
CID 100940055
lithium (4R)-4-tert-butylcyclohexen-1-olate
CID 102585708

Frequently Asked Questions

What is the IUPAC name of lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate?
The IUPAC name of lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate (CID 23666726) is lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate.
What is the SMILES notation for lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate?
The canonical SMILES for lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate is C[C@@H]1CC([O-])=C[C@H](C)C1.[Li+].
What is the InChIKey of lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate?
The InChIKey is NYHMCFRNXGUUAT-HHQFNNIRSA-M. The full InChI is InChI=1S/C8H14O.Li/c1-6-3-7(2)5-8(9)4-6;/h4,6-7,9H,3,5H2,1-2H3;/q;+1/p-1/t6-,7+;/m1./s1.
What are the key properties of lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate?
lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate has a molecular weight of 132.13 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 (3R,5S)-3,5-dimethylcyclohexen-1-olate is sourced from PubChem (CID 23666726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).