cyclohexanone;ethanol

C8H16O2 — CID 66906383

IUPACcyclohexanone;ethanol
SMILESCCO.O=C1CCCCC1
InChIInChI=1S/C6H10O.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H2;3H,2H2,1H3
InChIKeyIKFJXNLSXNKTHY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.52
Rot. Bonds

About cyclohexanone;ethanol

cyclohexanone;ethanol (PubChem CID 66906383) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cyclohexanone;ethanol.

Molecular Properties

Compound Namecyclohexanone;ethanol
PubChem CID66906383
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecyclohexanone;ethanol
SMILESCCO.O=C1CCCCC1
InChIInChI=1S/C6H10O.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H2;3H,2H2,1H3
InChIKeyIKFJXNLSXNKTHY-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;ethanol?
The IUPAC name of cyclohexanone;ethanol (CID 66906383) is cyclohexanone;ethanol.
What is the SMILES notation for cyclohexanone;ethanol?
The canonical SMILES for cyclohexanone;ethanol is CCO.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;ethanol?
The InChIKey is IKFJXNLSXNKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H2;3H,2H2,1H3.
What are the key properties of cyclohexanone;ethanol?
cyclohexanone;ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;ethanol is sourced from PubChem (CID 66906383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).