lithium 2-(4-methylphenyl)cyclohexen-1-olate

C13H15LiO — CID 102355144

IUPAClithium 2-(4-methylphenyl)cyclohexen-1-olate
SMILESCc1ccc(C2=C([O-])CCCC2)cc1.[Li+]
InChIInChI=1S/C13H16O.Li/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;/h6-9,14H,2-5H2,1H3;/q;+1/p-1
InChIKeyMMQCWRCUQFQCSN-UHFFFAOYSA-M
MW194.20 g/mol
LogP-0.36
Rot. Bonds1

About lithium 2-(4-methylphenyl)cyclohexen-1-olate

lithium 2-(4-methylphenyl)cyclohexen-1-olate (PubChem CID 102355144) has the molecular formula C13H15LiO and a molecular weight of 194.20 g/mol. Its IUPAC name is lithium 2-(4-methylphenyl)cyclohexen-1-olate.

Molecular Properties

Compound Namelithium 2-(4-methylphenyl)cyclohexen-1-olate
PubChem CID102355144
Molecular FormulaC13H15LiO
Molecular Weight194.20 g/mol
Exact Mass194.13
IUPAC Namelithium 2-(4-methylphenyl)cyclohexen-1-olate
SMILESCc1ccc(C2=C([O-])CCCC2)cc1.[Li+]
InChIInChI=1S/C13H16O.Li/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;/h6-9,14H,2-5H2,1H3;/q;+1/p-1
InChIKeyMMQCWRCUQFQCSN-UHFFFAOYSA-M
XLogP-0.36
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
CID 162400870
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
lithium;hydride;1,4-xylene
CID 173349078
1-ethenyl-4-[2-(4-ethenylphenyl)cyclohexen-1-yl]benzene
CID 102458684
1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene
CID 142529113
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) 4-methylbenzenesulfonate
CID 87853838
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
CID 10084074
manganese(2+);2-methylcyclohexen-1-olate;chloride
CID 101036940
5-(4-chlorophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543433
5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543434
3-(4-methylphenyl)-2-(propan-2-ylamino)cyclohex-2-en-1-one
CID 12604692

Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-methylphenyl)cyclohexen-1-olate?
The IUPAC name of lithium 2-(4-methylphenyl)cyclohexen-1-olate (CID 102355144) is lithium 2-(4-methylphenyl)cyclohexen-1-olate.
What is the SMILES notation for lithium 2-(4-methylphenyl)cyclohexen-1-olate?
The canonical SMILES for lithium 2-(4-methylphenyl)cyclohexen-1-olate is Cc1ccc(C2=C([O-])CCCC2)cc1.[Li+].
What is the InChIKey of lithium 2-(4-methylphenyl)cyclohexen-1-olate?
The InChIKey is MMQCWRCUQFQCSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16O.Li/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;/h6-9,14H,2-5H2,1H3;/q;+1/p-1.
What are the key properties of lithium 2-(4-methylphenyl)cyclohexen-1-olate?
lithium 2-(4-methylphenyl)cyclohexen-1-olate has a molecular weight of 194.20 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-methylphenyl)cyclohexen-1-olate is sourced from PubChem (CID 102355144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).