cyclohexane;ethanol;methanol

C9H22O2 — CID 66841571

IUPACcyclohexane;ethanol;methanol
SMILESC1CCCCC1.CCO.CO
InChIInChI=1S/C6H12.C2H6O.CH4O/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H2;3H,2H2,1H3;2H,1H3
InChIKeyZUGCTMPRAOKPHT-UHFFFAOYSA-N
MW162.27 g/mol
LogP1.95
Rot. Bonds

About cyclohexane;ethanol;methanol

cyclohexane;ethanol;methanol (PubChem CID 66841571) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is cyclohexane;ethanol;methanol.

Molecular Properties

Compound Namecyclohexane;ethanol;methanol
PubChem CID66841571
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Namecyclohexane;ethanol;methanol
SMILESC1CCCCC1.CCO.CO
InChIInChI=1S/C6H12.C2H6O.CH4O/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H2;3H,2H2,1H3;2H,1H3
InChIKeyZUGCTMPRAOKPHT-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethanol;methanol?
The IUPAC name of cyclohexane;ethanol;methanol (CID 66841571) is cyclohexane;ethanol;methanol.
What is the SMILES notation for cyclohexane;ethanol;methanol?
The canonical SMILES for cyclohexane;ethanol;methanol is C1CCCCC1.CCO.CO.
What is the InChIKey of cyclohexane;ethanol;methanol?
The InChIKey is ZUGCTMPRAOKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H6O.CH4O/c1-2-4-6-5-3-1;1-2-3;1-2/h1-6H2;3H,2H2,1H3;2H,1H3.
What are the key properties of cyclohexane;ethanol;methanol?
cyclohexane;ethanol;methanol has a molecular weight of 162.27 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethanol;methanol is sourced from PubChem (CID 66841571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).