bis(2-butylbenzoate);cadmium(2+)

C22H26CdO4 — CID 101299924

IUPACbis(2-butylbenzoate);cadmium(2+)
SMILESCCCCc1ccccc1C(=O)[O-].CCCCc1ccccc1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-2-3-6-9-7-4-5-8-10(9)11(12)13;/h2*4-5,7-8H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyWFWHAVOFAHKUEC-UHFFFAOYSA-L
MW466.86 g/mol
LogP2.78
Rot. Bonds8

About bis(2-butylbenzoate);cadmium(2+)

bis(2-butylbenzoate);cadmium(2+) (PubChem CID 101299924) has the molecular formula C22H26CdO4 and a molecular weight of 466.86 g/mol. Its IUPAC name is bis(2-butylbenzoate);cadmium(2+).

Molecular Properties

Compound Namebis(2-butylbenzoate);cadmium(2+)
PubChem CID101299924
Molecular FormulaC22H26CdO4
Molecular Weight466.86 g/mol
Exact Mass468.09
IUPAC Namebis(2-butylbenzoate);cadmium(2+)
SMILESCCCCc1ccccc1C(=O)[O-].CCCCc1ccccc1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-2-3-6-9-7-4-5-8-10(9)11(12)13;/h2*4-5,7-8H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyWFWHAVOFAHKUEC-UHFFFAOYSA-L
XLogP2.78
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.86
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-pentylbenzoate
CID 23698943
potassium 2-pentylbenzoate
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magnesium bis(2-hexylbenzoate)
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zinc bis(2-heptylbenzoate)
CID 101299904
barium(2+);bis(2-propylbenzoate)
CID 101299930
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
3-butylphthalate
CID 22401953
CID 101317916
CID 101317916
CID 101317976
CID 101317976
CID 101318072
CID 101318072
sodium 3-butyl-2-methylbenzoate
CID 67715535
bis(3-butylphthalate);cobalt
CID 158616915

Frequently Asked Questions

What is the IUPAC name of bis(2-butylbenzoate);cadmium(2+)?
The IUPAC name of bis(2-butylbenzoate);cadmium(2+) (CID 101299924) is bis(2-butylbenzoate);cadmium(2+).
What is the SMILES notation for bis(2-butylbenzoate);cadmium(2+)?
The canonical SMILES for bis(2-butylbenzoate);cadmium(2+) is CCCCc1ccccc1C(=O)[O-].CCCCc1ccccc1C(=O)[O-].[Cd+2].
What is the InChIKey of bis(2-butylbenzoate);cadmium(2+)?
The InChIKey is WFWHAVOFAHKUEC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H14O2.Cd/c2*1-2-3-6-9-7-4-5-8-10(9)11(12)13;/h2*4-5,7-8H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of bis(2-butylbenzoate);cadmium(2+)?
bis(2-butylbenzoate);cadmium(2+) has a molecular weight of 466.86 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylbenzoate);cadmium(2+) is sourced from PubChem (CID 101299924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).