calcium;1,2,4,5-tetramethylbenzene;dichloride

C10H14CaCl2 — CID 174947669

IUPACcalcium;1,2,4,5-tetramethylbenzene;dichloride
SMILESCc1cc(C)c(C)cc1C.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C10H14.Ca.2ClH/c1-7-5-9(3)10(4)6-8(7)2;;;/h5-6H,1-4H3;;2*1H/q;+2;;/p-2
InChIKeyIBBUKMFYQBRIHO-UHFFFAOYSA-L
MW245.21 g/mol
LogP-3.45
Rot. Bonds

About calcium;1,2,4,5-tetramethylbenzene;dichloride

calcium;1,2,4,5-tetramethylbenzene;dichloride (PubChem CID 174947669) has the molecular formula C10H14CaCl2 and a molecular weight of 245.21 g/mol. Its IUPAC name is calcium;1,2,4,5-tetramethylbenzene;dichloride.

Molecular Properties

Compound Namecalcium;1,2,4,5-tetramethylbenzene;dichloride
PubChem CID174947669
Molecular FormulaC10H14CaCl2
Molecular Weight245.21 g/mol
Exact Mass244.01
IUPAC Namecalcium;1,2,4,5-tetramethylbenzene;dichloride
SMILESCc1cc(C)c(C)cc1C.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C10H14.Ca.2ClH/c1-7-5-9(3)10(4)6-8(7)2;;;/h5-6H,1-4H3;;2*1H/q;+2;;/p-2
InChIKeyIBBUKMFYQBRIHO-UHFFFAOYSA-L
XLogP-3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze calcium;1,2,4,5-tetramethylbenzene;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;1,2,4,5-tetramethylbenzene;dichloride?
The IUPAC name of calcium;1,2,4,5-tetramethylbenzene;dichloride (CID 174947669) is calcium;1,2,4,5-tetramethylbenzene;dichloride.
What is the SMILES notation for calcium;1,2,4,5-tetramethylbenzene;dichloride?
The canonical SMILES for calcium;1,2,4,5-tetramethylbenzene;dichloride is Cc1cc(C)c(C)cc1C.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;1,2,4,5-tetramethylbenzene;dichloride?
The InChIKey is IBBUKMFYQBRIHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14.Ca.2ClH/c1-7-5-9(3)10(4)6-8(7)2;;;/h5-6H,1-4H3;;2*1H/q;+2;;/p-2.
What are the key properties of calcium;1,2,4,5-tetramethylbenzene;dichloride?
calcium;1,2,4,5-tetramethylbenzene;dichloride has a molecular weight of 245.21 g/mol, XLogP of -3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1,2,4,5-tetramethylbenzene;dichloride is sourced from PubChem (CID 174947669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).