lithium 2,5-dimethylcyclohexan-1-ol

C8H16LiO+ — CID 18764144

IUPAClithium 2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)C1.[Li+]
InChIInChI=1S/C8H16O.Li/c1-6-3-4-7(2)8(9)5-6;/h6-9H,3-5H2,1-2H3;/q;+1
InChIKeyQFSAMBZKRSNMEZ-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.19
Rot. Bonds

About lithium 2,5-dimethylcyclohexan-1-ol

lithium 2,5-dimethylcyclohexan-1-ol (PubChem CID 18764144) has the molecular formula C8H16LiO+ and a molecular weight of 135.16 g/mol. Its IUPAC name is lithium 2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namelithium 2,5-dimethylcyclohexan-1-ol
PubChem CID18764144
Molecular FormulaC8H16LiO+
Molecular Weight135.16 g/mol
Exact Mass135.14
IUPAC Namelithium 2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)C1.[Li+]
InChIInChI=1S/C8H16O.Li/c1-6-3-4-7(2)8(9)5-6;/h6-9H,3-5H2,1-2H3;/q;+1
InChIKeyQFSAMBZKRSNMEZ-UHFFFAOYSA-N
XLogP-1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze lithium 2,5-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
1-tert-butylbicyclo[1.1.1]pentane;(1R,2R,5R)-2,5-dimethylcyclohexan-1-ol;2,2,3,3-tetramethylbutane
CID 157064714
5-(3-hydroxy-4-methylcyclohexyl)sulfonyl-2-methylcyclohexan-1-ol
CID 140519074

Frequently Asked Questions

What is the IUPAC name of lithium 2,5-dimethylcyclohexan-1-ol?
The IUPAC name of lithium 2,5-dimethylcyclohexan-1-ol (CID 18764144) is lithium 2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for lithium 2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for lithium 2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)C1.[Li+].
What is the InChIKey of lithium 2,5-dimethylcyclohexan-1-ol?
The InChIKey is QFSAMBZKRSNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Li/c1-6-3-4-7(2)8(9)5-6;/h6-9H,3-5H2,1-2H3;/q;+1.
What are the key properties of lithium 2,5-dimethylcyclohexan-1-ol?
lithium 2,5-dimethylcyclohexan-1-ol has a molecular weight of 135.16 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 18764144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).