cyclohex-2-en-1-one;dihydrochloride

C6H10Cl2O — CID 21391808

IUPACcyclohex-2-en-1-one;dihydrochloride
SMILESCl.Cl.O=C1C=CCCC1
InChIInChI=1S/C6H8O.2ClH/c7-6-4-2-1-3-5-6;;/h2,4H,1,3,5H2;2*1H
InChIKeyHQFRAIXFMCZGKW-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.14
Rot. Bonds

About cyclohex-2-en-1-one;dihydrochloride

cyclohex-2-en-1-one;dihydrochloride (PubChem CID 21391808) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is cyclohex-2-en-1-one;dihydrochloride.

Molecular Properties

Compound Namecyclohex-2-en-1-one;dihydrochloride
PubChem CID21391808
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Namecyclohex-2-en-1-one;dihydrochloride
SMILESCl.Cl.O=C1C=CCCC1
InChIInChI=1S/C6H8O.2ClH/c7-6-4-2-1-3-5-6;;/h2,4H,1,3,5H2;2*1H
InChIKeyHQFRAIXFMCZGKW-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-one;dihydrochloride?
The IUPAC name of cyclohex-2-en-1-one;dihydrochloride (CID 21391808) is cyclohex-2-en-1-one;dihydrochloride.
What is the SMILES notation for cyclohex-2-en-1-one;dihydrochloride?
The canonical SMILES for cyclohex-2-en-1-one;dihydrochloride is Cl.Cl.O=C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-one;dihydrochloride?
The InChIKey is HQFRAIXFMCZGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.2ClH/c7-6-4-2-1-3-5-6;;/h2,4H,1,3,5H2;2*1H.
What are the key properties of cyclohex-2-en-1-one;dihydrochloride?
cyclohex-2-en-1-one;dihydrochloride has a molecular weight of 169.05 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-one;dihydrochloride is sourced from PubChem (CID 21391808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).