lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate

C11H19LiO — CID 135082029

IUPAClithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
SMILESCC1=C([O-])C[C@H](C(C)(C)C)CC1.[Li+]
InChIInChI=1S/C11H20O.Li/c1-8-5-6-9(7-10(8)12)11(2,3)4;/h9,12H,5-7H2,1-4H3;/q;+1/p-1/t9-;/m1./s1
InChIKeyKFXYCZRSAUEBEV-SBSPUUFOSA-M
MW174.21 g/mol
LogP-0.53
Rot. Bonds

About lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate

lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate (PubChem CID 135082029) has the molecular formula C11H19LiO and a molecular weight of 174.21 g/mol. Its IUPAC name is lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
PubChem CID135082029
Molecular FormulaC11H19LiO
Molecular Weight174.21 g/mol
Exact Mass174.16
IUPAC Namelithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
SMILESCC1=C([O-])C[C@H](C(C)(C)C)CC1.[Li+]
InChIInChI=1S/C11H20O.Li/c1-8-5-6-9(7-10(8)12)11(2,3)4;/h9,12H,5-7H2,1-4H3;/q;+1/p-1/t9-;/m1./s1
InChIKeyKFXYCZRSAUEBEV-SBSPUUFOSA-M
XLogP-0.53
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
CID 135082030
4-tert-butyl-2-methyl-1-(3-methylbutan-2-yl)cyclohexene
CID 91362979
4-tert-butyl-2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-1-methylcyclohexene
CID 155725642
(4-tert-butylcyclohexylidene)methanone
CID 134893042
(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
CID 10702610
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 158199396
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 82025662
4-tert-butylcyclohexan-1-one
CID 7392
5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600
5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
CID 130128613

Frequently Asked Questions

What is the IUPAC name of lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate?
The IUPAC name of lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate (CID 135082029) is lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate.
What is the SMILES notation for lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate?
The canonical SMILES for lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate is CC1=C([O-])C[C@H](C(C)(C)C)CC1.[Li+].
What is the InChIKey of lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate?
The InChIKey is KFXYCZRSAUEBEV-SBSPUUFOSA-M. The full InChI is InChI=1S/C11H20O.Li/c1-8-5-6-9(7-10(8)12)11(2,3)4;/h9,12H,5-7H2,1-4H3;/q;+1/p-1/t9-;/m1./s1.
What are the key properties of lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate?
lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate has a molecular weight of 174.21 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate is sourced from PubChem (CID 135082029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).