calcium hexachloride

CaCl6-4 — CID 175717492

IUPACcalcium hexachloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/Ca.6ClH/h;6*1H/q+2;;;;;;/p-6
InChIKeyVFTUOJBDNCJQID-UHFFFAOYSA-H
MW252.80 g/mol
LogP-18.36
Rot. Bonds

About calcium hexachloride

calcium hexachloride (PubChem CID 175717492) has the molecular formula CaCl6-4 and a molecular weight of 252.80 g/mol. Its IUPAC name is calcium hexachloride.

Molecular Properties

Compound Namecalcium hexachloride
PubChem CID175717492
Molecular FormulaCaCl6-4
Molecular Weight252.80 g/mol
Exact Mass249.78
IUPAC Namecalcium hexachloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/Ca.6ClH/h;6*1H/q+2;;;;;;/p-6
InChIKeyVFTUOJBDNCJQID-UHFFFAOYSA-H
XLogP-18.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.80
LogP ≤ 5-18.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium hexachloride?
The IUPAC name of calcium hexachloride (CID 175717492) is calcium hexachloride.
What is the SMILES notation for calcium hexachloride?
The canonical SMILES for calcium hexachloride is [Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of calcium hexachloride?
The InChIKey is VFTUOJBDNCJQID-UHFFFAOYSA-H. The full InChI is InChI=1S/Ca.6ClH/h;6*1H/q+2;;;;;;/p-6.
What are the key properties of calcium hexachloride?
calcium hexachloride has a molecular weight of 252.80 g/mol, XLogP of -18.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium hexachloride is sourced from PubChem (CID 175717492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).