cyclohexane-1,3,5-triol;ethanol

C8H18O4 — CID 143582059

IUPACcyclohexane-1,3,5-triol;ethanol
SMILESCCO.OC1CC(O)CC(O)C1
InChIInChI=1S/C6H12O3.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-2-3/h4-9H,1-3H2;3H,2H2,1H3
InChIKeyKKOHVKCYTPFGIS-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.75
Rot. Bonds

About cyclohexane-1,3,5-triol;ethanol

cyclohexane-1,3,5-triol;ethanol (PubChem CID 143582059) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is cyclohexane-1,3,5-triol;ethanol.

Molecular Properties

Compound Namecyclohexane-1,3,5-triol;ethanol
PubChem CID143582059
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Namecyclohexane-1,3,5-triol;ethanol
SMILESCCO.OC1CC(O)CC(O)C1
InChIInChI=1S/C6H12O3.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-2-3/h4-9H,1-3H2;3H,2H2,1H3
InChIKeyKKOHVKCYTPFGIS-UHFFFAOYSA-N
XLogP-0.75
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,3,5-triol;ethanol?
The IUPAC name of cyclohexane-1,3,5-triol;ethanol (CID 143582059) is cyclohexane-1,3,5-triol;ethanol.
What is the SMILES notation for cyclohexane-1,3,5-triol;ethanol?
The canonical SMILES for cyclohexane-1,3,5-triol;ethanol is CCO.OC1CC(O)CC(O)C1.
What is the InChIKey of cyclohexane-1,3,5-triol;ethanol?
The InChIKey is KKOHVKCYTPFGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-2-3/h4-9H,1-3H2;3H,2H2,1H3.
What are the key properties of cyclohexane-1,3,5-triol;ethanol?
cyclohexane-1,3,5-triol;ethanol has a molecular weight of 178.23 g/mol, XLogP of -0.75, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,3,5-triol;ethanol is sourced from PubChem (CID 143582059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).