calcium;hydride;tetrachloromethane;hydrochloride

CH3CaCl5 — CID 173433489

IUPACcalcium;hydride;tetrachloromethane;hydrochloride
SMILESCl.ClC(Cl)(Cl)Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/CCl4.Ca.ClH.2H/c2-1(3,4)5;;;;/h;;1H;;/q;+2;;2*-1
InChIKeyHRVNWSGZNPVWEQ-UHFFFAOYSA-N
MW232.38 g/mol
LogP2.82
Rot. Bonds

About calcium;hydride;tetrachloromethane;hydrochloride

calcium;hydride;tetrachloromethane;hydrochloride (PubChem CID 173433489) has the molecular formula CH3CaCl5 and a molecular weight of 232.38 g/mol. Its IUPAC name is calcium;hydride;tetrachloromethane;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;tetrachloromethane;hydrochloride
PubChem CID173433489
Molecular FormulaCH3CaCl5
Molecular Weight232.38 g/mol
Exact Mass229.83
IUPAC Namecalcium;hydride;tetrachloromethane;hydrochloride
SMILESCl.ClC(Cl)(Cl)Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/CCl4.Ca.ClH.2H/c2-1(3,4)5;;;;/h;;1H;;/q;+2;;2*-1
InChIKeyHRVNWSGZNPVWEQ-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139954008
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CID 173442667
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tetrachloromethane;hexahydrofluoride
CID 172761965
tricalcium;hydride;dihydrochloride
CID 173391877
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CID 173246793
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CID 87168985
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CID 159473553
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CID 141230689
acetylene;tetrachloromethane
CID 19386607
trichloro(fluoro)methane;hydrochloride
CID 88794151
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CID 175018701

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;tetrachloromethane;hydrochloride?
The IUPAC name of calcium;hydride;tetrachloromethane;hydrochloride (CID 173433489) is calcium;hydride;tetrachloromethane;hydrochloride.
What is the SMILES notation for calcium;hydride;tetrachloromethane;hydrochloride?
The canonical SMILES for calcium;hydride;tetrachloromethane;hydrochloride is Cl.ClC(Cl)(Cl)Cl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;tetrachloromethane;hydrochloride?
The InChIKey is HRVNWSGZNPVWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl4.Ca.ClH.2H/c2-1(3,4)5;;;;/h;;1H;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;tetrachloromethane;hydrochloride?
calcium;hydride;tetrachloromethane;hydrochloride has a molecular weight of 232.38 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;tetrachloromethane;hydrochloride is sourced from PubChem (CID 173433489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).