Calcium hexachloride

Name: Calcium hexachloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

CaCl₆-4 — CID 175717492

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Calcium hexachloride
PubChem CID	175717492
Molecular Formula	CaCl₆-4
Molecular Weight	252.80 g/mol
Exact Mass	249.78
IUPAC Name	calcium hexachloride
SMILES	[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChI	InChI=1S/Ca.6ClH/h;6*1H/q+2;;;;;;/p-6
InChIKey	VFTUOJBDNCJQID-UHFFFAOYSA-H
XLogP	-18.36
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	7
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.80
LogP ≤ 5	-18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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).

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Sources

PubChem CID 175717492 — identifiers, structure, computed properties (public domain)

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