potassium cyclohexane-1,3-diol

C6H12KO2+ — CID 22067166

IUPACpotassium cyclohexane-1,3-diol
SMILESOC1CCCC(O)C1.[K+]
InChIInChI=1S/C6H12O2.K/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/q;+1
InChIKeyQLVOTYQALKBRCN-UHFFFAOYSA-N
MW155.26 g/mol
LogP-2.71
Rot. Bonds

About potassium cyclohexane-1,3-diol

potassium cyclohexane-1,3-diol (PubChem CID 22067166) has the molecular formula C6H12KO2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is potassium cyclohexane-1,3-diol.

Molecular Properties

Compound Namepotassium cyclohexane-1,3-diol
PubChem CID22067166
Molecular FormulaC6H12KO2+
Molecular Weight155.26 g/mol
Exact Mass155.05
IUPAC Namepotassium cyclohexane-1,3-diol
SMILESOC1CCCC(O)C1.[K+]
InChIInChI=1S/C6H12O2.K/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/q;+1
InChIKeyQLVOTYQALKBRCN-UHFFFAOYSA-N
XLogP-2.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
cis-(1R,3S)-3-iodocyclohexan-1-ol
CID 89192382
cyclobutanol;cyclopropanol
CID 175019048
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
CID 69296873
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319
methanamine;3-methylcyclohexan-1-ol
CID 174923816

Frequently Asked Questions

What is the IUPAC name of potassium cyclohexane-1,3-diol?
The IUPAC name of potassium cyclohexane-1,3-diol (CID 22067166) is potassium cyclohexane-1,3-diol.
What is the SMILES notation for potassium cyclohexane-1,3-diol?
The canonical SMILES for potassium cyclohexane-1,3-diol is OC1CCCC(O)C1.[K+].
What is the InChIKey of potassium cyclohexane-1,3-diol?
The InChIKey is QLVOTYQALKBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.K/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/q;+1.
What are the key properties of potassium cyclohexane-1,3-diol?
potassium cyclohexane-1,3-diol has a molecular weight of 155.26 g/mol, XLogP of -2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclohexane-1,3-diol is sourced from PubChem (CID 22067166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).