cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)

C20H20CdO4 — CID 162540344

IUPACcadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
SMILESO=C(O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21.[Cd]
InChIInChI=1S/2C10H10O2.Cd/c2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;/h2*1-4,9H,5-6H2,(H,11,12);
InChIKeyHMFXYDPNYNRYOV-UHFFFAOYSA-N
MW436.79 g/mol
LogP3.60
Rot. Bonds2

About cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)

cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid) (PubChem CID 162540344) has the molecular formula C20H20CdO4 and a molecular weight of 436.79 g/mol. Its IUPAC name is cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid).

Molecular Properties

Compound Namecadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
PubChem CID162540344
Molecular FormulaC20H20CdO4
Molecular Weight436.79 g/mol
Exact Mass438.04
IUPAC Namecadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
SMILESO=C(O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21.[Cd]
InChIInChI=1S/2C10H10O2.Cd/c2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;/h2*1-4,9H,5-6H2,(H,11,12);
InChIKeyHMFXYDPNYNRYOV-UHFFFAOYSA-N
XLogP3.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 119229646
cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120679080
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
2-methyl-1,3,4,5-tetrahydro-2-benzazepine-5-carboxylic acid
CID 130118823
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
CID 79991196

Frequently Asked Questions

What is the IUPAC name of cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)?
The IUPAC name of cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid) (CID 162540344) is cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid).
What is the SMILES notation for cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)?
The canonical SMILES for cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid) is O=C(O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21.[Cd].
What is the InChIKey of cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)?
The InChIKey is HMFXYDPNYNRYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10O2.Cd/c2*11-10(12)9-6-5-7-3-1-2-4-8(7)9;/h2*1-4,9H,5-6H2,(H,11,12);.
What are the key properties of cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)?
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid) has a molecular weight of 436.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid) is sourced from PubChem (CID 162540344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).