pentahydrate;dihydrochloride

H12Cl2O5 — CID 22097563

IUPACpentahydrate;dihydrochloride
SMILESCl.Cl.O.O.O.O.O
InChIInChI=1S/2ClH.5H2O/h2*1H;5*1H2
InChIKeyLKHNOHWYYXYGQP-UHFFFAOYSA-N
MW163.00 g/mol
LogP-3.28
Rot. Bonds

About pentahydrate;dihydrochloride

pentahydrate;dihydrochloride (PubChem CID 22097563) has the molecular formula H12Cl2O5 and a molecular weight of 163.00 g/mol. Its IUPAC name is pentahydrate;dihydrochloride.

Molecular Properties

Compound Namepentahydrate;dihydrochloride
PubChem CID22097563
Molecular FormulaH12Cl2O5
Molecular Weight163.00 g/mol
Exact Mass162.01
IUPAC Namepentahydrate;dihydrochloride
SMILESCl.Cl.O.O.O.O.O
InChIInChI=1S/2ClH.5H2O/h2*1H;5*1H2
InChIKeyLKHNOHWYYXYGQP-UHFFFAOYSA-N
XLogP-3.28
TPSA157.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.00
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentahydrate;dihydrochloride?
The IUPAC name of pentahydrate;dihydrochloride (CID 22097563) is pentahydrate;dihydrochloride.
What is the SMILES notation for pentahydrate;dihydrochloride?
The canonical SMILES for pentahydrate;dihydrochloride is Cl.Cl.O.O.O.O.O.
What is the InChIKey of pentahydrate;dihydrochloride?
The InChIKey is LKHNOHWYYXYGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.5H2O/h2*1H;5*1H2.
What are the key properties of pentahydrate;dihydrochloride?
pentahydrate;dihydrochloride has a molecular weight of 163.00 g/mol, XLogP of -3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentahydrate;dihydrochloride is sourced from PubChem (CID 22097563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).