cyclohexanone;bis(ethane-1,2-diol)

C10H22O5 — CID 174864524

IUPACcyclohexanone;bis(ethane-1,2-diol)
SMILESO=C1CCCCC1.OCCO.OCCO
InChIInChI=1S/C6H10O.2C2H6O2/c7-6-4-2-1-3-5-6;2*3-1-2-4/h1-5H2;2*3-4H,1-2H2
InChIKeyKHYIPLAXQJMBEK-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.54
Rot. Bonds2

About cyclohexanone;bis(ethane-1,2-diol)

cyclohexanone;bis(ethane-1,2-diol) (PubChem CID 174864524) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is cyclohexanone;bis(ethane-1,2-diol).

Molecular Properties

Compound Namecyclohexanone;bis(ethane-1,2-diol)
PubChem CID174864524
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Namecyclohexanone;bis(ethane-1,2-diol)
SMILESO=C1CCCCC1.OCCO.OCCO
InChIInChI=1S/C6H10O.2C2H6O2/c7-6-4-2-1-3-5-6;2*3-1-2-4/h1-5H2;2*3-4H,1-2H2
InChIKeyKHYIPLAXQJMBEK-UHFFFAOYSA-N
XLogP-0.54
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;bis(ethane-1,2-diol)?
The IUPAC name of cyclohexanone;bis(ethane-1,2-diol) (CID 174864524) is cyclohexanone;bis(ethane-1,2-diol).
What is the SMILES notation for cyclohexanone;bis(ethane-1,2-diol)?
The canonical SMILES for cyclohexanone;bis(ethane-1,2-diol) is O=C1CCCCC1.OCCO.OCCO.
What is the InChIKey of cyclohexanone;bis(ethane-1,2-diol)?
The InChIKey is KHYIPLAXQJMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.2C2H6O2/c7-6-4-2-1-3-5-6;2*3-1-2-4/h1-5H2;2*3-4H,1-2H2.
What are the key properties of cyclohexanone;bis(ethane-1,2-diol)?
cyclohexanone;bis(ethane-1,2-diol) has a molecular weight of 222.28 g/mol, XLogP of -0.54, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;bis(ethane-1,2-diol) is sourced from PubChem (CID 174864524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).