lithium 3,3-dimethylcyclohexen-1-olate

C8H13LiO — CID 134905726

IUPAClithium 3,3-dimethylcyclohexen-1-olate
SMILESCC1(C)C=C([O-])CCC1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-8(2)5-3-4-7(9)6-8;/h6,9H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyFLCIVXCZWOIPRM-UHFFFAOYSA-M
MW132.13 g/mol
LogP-1.56
Rot. Bonds

About lithium 3,3-dimethylcyclohexen-1-olate

lithium 3,3-dimethylcyclohexen-1-olate (PubChem CID 134905726) has the molecular formula C8H13LiO and a molecular weight of 132.13 g/mol. Its IUPAC name is lithium 3,3-dimethylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium 3,3-dimethylcyclohexen-1-olate
PubChem CID134905726
Molecular FormulaC8H13LiO
Molecular Weight132.13 g/mol
Exact Mass132.11
IUPAC Namelithium 3,3-dimethylcyclohexen-1-olate
SMILESCC1(C)C=C([O-])CCC1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-8(2)5-3-4-7(9)6-8;/h6,9H,3-5H2,1-2H3;/q;+1/p-1
InChIKeyFLCIVXCZWOIPRM-UHFFFAOYSA-M
XLogP-1.56
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 ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyl-1-cyclohexen-1-ol
CID 21678235
Lithium 6-methylcyclohexen-1-olate
CID 23682383
lithium (3R,5S)-3,5-dimethylcyclohexen-1-olate
CID 23666726
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561
Lithium 3-methylcyclohexen-1-olate
CID 100940055
lithium (4R)-4-tert-butylcyclohexen-1-olate
CID 102585708
Lithium 3-ethylcyclohexen-1-olate
CID 134851878
sodium (4S)-4-tert-butylcyclohexen-1-olate
CID 134890160
sodium (4R)-4-tert-butylcyclohexen-1-olate
CID 134890242
(6,6-Dimethylcyclohexen-1-yl)oxy-trimethylstannane
CID 134894930
lithium (3R)-3-methylcyclohexen-1-olate
CID 134905128
lithium (5R)-5-methylcyclohexen-1-olate
CID 134975809

Frequently Asked Questions

What is the IUPAC name of lithium 3,3-dimethylcyclohexen-1-olate?
The IUPAC name of lithium 3,3-dimethylcyclohexen-1-olate (CID 134905726) is lithium 3,3-dimethylcyclohexen-1-olate.
What is the SMILES notation for lithium 3,3-dimethylcyclohexen-1-olate?
The canonical SMILES for lithium 3,3-dimethylcyclohexen-1-olate is CC1(C)C=C([O-])CCC1.[Li+].
What is the InChIKey of lithium 3,3-dimethylcyclohexen-1-olate?
The InChIKey is FLCIVXCZWOIPRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O.Li/c1-8(2)5-3-4-7(9)6-8;/h6,9H,3-5H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 3,3-dimethylcyclohexen-1-olate?
lithium 3,3-dimethylcyclohexen-1-olate has a molecular weight of 132.13 g/mol, XLogP of -1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,3-dimethylcyclohexen-1-olate is sourced from PubChem (CID 134905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).