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

C16H30CdO4 — CID 17023

IUPACcadmium(2+);bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cd+2]
InChIInChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyRXROCZREIWVERD-UHFFFAOYSA-L
MW398.82 g/mol
LogP1.90
Rot. Bonds10

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

cadmium(2+);bis(2-ethylhexanoate) (PubChem CID 17023) has the molecular formula C16H30CdO4 and a molecular weight of 398.82 g/mol. Its IUPAC name is cadmium(2+);bis(2-ethylhexanoate).

Molecular Properties

Compound Namecadmium(2+);bis(2-ethylhexanoate)
PubChem CID17023
Molecular FormulaC16H30CdO4
Molecular Weight398.82 g/mol
Exact Mass400.12
IUPAC Namecadmium(2+);bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cd+2]
InChIInChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyRXROCZREIWVERD-UHFFFAOYSA-L
XLogP1.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-ethylhexanoate)?
The IUPAC name of cadmium(2+);bis(2-ethylhexanoate) (CID 17023) is cadmium(2+);bis(2-ethylhexanoate).
What is the SMILES notation for cadmium(2+);bis(2-ethylhexanoate)?
The canonical SMILES for cadmium(2+);bis(2-ethylhexanoate) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(2-ethylhexanoate)?
The InChIKey is RXROCZREIWVERD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-ethylhexanoate)?
cadmium(2+);bis(2-ethylhexanoate) has a molecular weight of 398.82 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-ethylhexanoate) is sourced from PubChem (CID 17023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).