calcium;ethene;trichloride

C2H4CaCl3- — CID 21413632

IUPACcalcium;ethene;trichloride
SMILESC=C.[Ca+2].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H4.Ca.3ClH/c1-2;;;;/h1-2H2;;3*1H/q;+2;;;/p-3
InChIKeyKFVHPLYLOLCIHJ-UHFFFAOYSA-K
MW174.49 g/mol
LogP-8.57
Rot. Bonds

About calcium;ethene;trichloride

calcium;ethene;trichloride (PubChem CID 21413632) has the molecular formula C2H4CaCl3- and a molecular weight of 174.49 g/mol. Its IUPAC name is calcium;ethene;trichloride.

Molecular Properties

Compound Namecalcium;ethene;trichloride
PubChem CID21413632
Molecular FormulaC2H4CaCl3-
Molecular Weight174.49 g/mol
Exact Mass172.90
IUPAC Namecalcium;ethene;trichloride
SMILESC=C.[Ca+2].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H4.Ca.3ClH/c1-2;;;;/h1-2H2;;3*1H/q;+2;;;/p-3
InChIKeyKFVHPLYLOLCIHJ-UHFFFAOYSA-K
XLogP-8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.49
LogP ≤ 5-8.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;trichloride
CID 23135135
aluminum;ethene;trichloride
CID 160515090
calcium;ethene;hydride
CID 173116853
calcium hexachloride
CID 175717492
ethene;trihydrofluoride
CID 172996920
ethene;sulfane
CID 173042161
calcium;cadmium;dichloride
CID 174908222
calcium;dichloride;triheptacontahydrochloride
CID 173409097
calcium;iron(2+);tetrachloride
CID 162213955
azane;ethene
CID 172863164
ethene;methane
CID 158775947
CID 172809925
CID 172809925

Frequently Asked Questions

What is the IUPAC name of calcium;ethene;trichloride?
The IUPAC name of calcium;ethene;trichloride (CID 21413632) is calcium;ethene;trichloride.
What is the SMILES notation for calcium;ethene;trichloride?
The canonical SMILES for calcium;ethene;trichloride is C=C.[Ca+2].[Cl-].[Cl-].[Cl-].
What is the InChIKey of calcium;ethene;trichloride?
The InChIKey is KFVHPLYLOLCIHJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H4.Ca.3ClH/c1-2;;;;/h1-2H2;;3*1H/q;+2;;;/p-3.
What are the key properties of calcium;ethene;trichloride?
calcium;ethene;trichloride has a molecular weight of 174.49 g/mol, XLogP of -8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethene;trichloride is sourced from PubChem (CID 21413632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).