bis(cyclohexanecarboxylate);indium(3+);chloride

C14H22ClInO4 — CID 160994257

IUPACbis(cyclohexanecarboxylate);indium(3+);chloride
SMILESO=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Cl-].[In+3]
InChIInChI=1S/2C7H12O2.ClH.In/c2*8-7(9)6-4-2-1-3-5-6;;/h2*6H,1-5H2,(H,8,9);1H;/q;;;+3/p-3
InChIKeyTVAOODYUSQBXHL-UHFFFAOYSA-K
MW404.60 g/mol
LogP-2.74
Rot. Bonds2

About bis(cyclohexanecarboxylate);indium(3+);chloride

bis(cyclohexanecarboxylate);indium(3+);chloride (PubChem CID 160994257) has the molecular formula C14H22ClInO4 and a molecular weight of 404.60 g/mol. Its IUPAC name is bis(cyclohexanecarboxylate);indium(3+);chloride.

Molecular Properties

Compound Namebis(cyclohexanecarboxylate);indium(3+);chloride
PubChem CID160994257
Molecular FormulaC14H22ClInO4
Molecular Weight404.60 g/mol
Exact Mass404.02
IUPAC Namebis(cyclohexanecarboxylate);indium(3+);chloride
SMILESO=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Cl-].[In+3]
InChIInChI=1S/2C7H12O2.ClH.In/c2*8-7(9)6-4-2-1-3-5-6;;/h2*6H,1-5H2,(H,8,9);1H;/q;;;+3/p-3
InChIKeyTVAOODYUSQBXHL-UHFFFAOYSA-K
XLogP-2.74
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(cyclohexanecarboxylate);indium(3+);chloride with MolForge

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

Launch Full Analysis

Related Compounds

cyclotetradecanecarboxylate
CID 140590492
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
CID 171703364
CID 171703364
azanium cyclobutanecarboxylate
CID 160775595
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
trisodium;cyclopropanecarboxylate
CID 141381064
disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
CID 23229980
cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
CID 158170706
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
dicyclohexylmethanone;formaldehyde
CID 175300134
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexanecarboxylate);indium(3+);chloride?
The IUPAC name of bis(cyclohexanecarboxylate);indium(3+);chloride (CID 160994257) is bis(cyclohexanecarboxylate);indium(3+);chloride.
What is the SMILES notation for bis(cyclohexanecarboxylate);indium(3+);chloride?
The canonical SMILES for bis(cyclohexanecarboxylate);indium(3+);chloride is O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Cl-].[In+3].
What is the InChIKey of bis(cyclohexanecarboxylate);indium(3+);chloride?
The InChIKey is TVAOODYUSQBXHL-UHFFFAOYSA-K. The full InChI is InChI=1S/2C7H12O2.ClH.In/c2*8-7(9)6-4-2-1-3-5-6;;/h2*6H,1-5H2,(H,8,9);1H;/q;;;+3/p-3.
What are the key properties of bis(cyclohexanecarboxylate);indium(3+);chloride?
bis(cyclohexanecarboxylate);indium(3+);chloride has a molecular weight of 404.60 g/mol, XLogP of -2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexanecarboxylate);indium(3+);chloride is sourced from PubChem (CID 160994257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).