hexahydrate;dihydrochloride

H14Cl2O6 — CID 160746993

IUPAChexahydrate;dihydrochloride
SMILESCl.Cl.O.O.O.O.O.O
InChIInChI=1S/2ClH.6H2O/h2*1H;6*1H2
InChIKeyRWHVLYGIVQIYLU-UHFFFAOYSA-N
MW181.01 g/mol
LogP-4.10
Rot. Bonds

About hexahydrate;dihydrochloride

hexahydrate;dihydrochloride (PubChem CID 160746993) has the molecular formula H14Cl2O6 and a molecular weight of 181.01 g/mol. Its IUPAC name is hexahydrate;dihydrochloride.

Molecular Properties

Compound Namehexahydrate;dihydrochloride
PubChem CID160746993
Molecular FormulaH14Cl2O6
Molecular Weight181.01 g/mol
Exact Mass180.02
IUPAC Namehexahydrate;dihydrochloride
SMILESCl.Cl.O.O.O.O.O.O
InChIInChI=1S/2ClH.6H2O/h2*1H;6*1H2
InChIKeyRWHVLYGIVQIYLU-UHFFFAOYSA-N
XLogP-4.10
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.01
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexahydrate;dihydrochloride?
The IUPAC name of hexahydrate;dihydrochloride (CID 160746993) is hexahydrate;dihydrochloride.
What is the SMILES notation for hexahydrate;dihydrochloride?
The canonical SMILES for hexahydrate;dihydrochloride is Cl.Cl.O.O.O.O.O.O.
What is the InChIKey of hexahydrate;dihydrochloride?
The InChIKey is RWHVLYGIVQIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.6H2O/h2*1H;6*1H2.
What are the key properties of hexahydrate;dihydrochloride?
hexahydrate;dihydrochloride has a molecular weight of 181.01 g/mol, XLogP of -4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexahydrate;dihydrochloride is sourced from PubChem (CID 160746993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).