cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)

C16H26CdO4 — CID 22603924

IUPACcadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
SMILESCC1CCCCC1C(=O)[O-].CC1CCCCC1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C8H14O2.Cd/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*6-7H,2-5H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyONFHMILQMFZLDM-UHFFFAOYSA-L
MW394.79 g/mol
LogP1.12
Rot. Bonds2

About cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)

cadmium(2+);bis(2-methylcyclohexane-1-carboxylate) (PubChem CID 22603924) has the molecular formula C16H26CdO4 and a molecular weight of 394.79 g/mol. Its IUPAC name is cadmium(2+);bis(2-methylcyclohexane-1-carboxylate).

Molecular Properties

Compound Namecadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
PubChem CID22603924
Molecular FormulaC16H26CdO4
Molecular Weight394.79 g/mol
Exact Mass396.09
IUPAC Namecadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
SMILESCC1CCCCC1C(=O)[O-].CC1CCCCC1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C8H14O2.Cd/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*6-7H,2-5H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyONFHMILQMFZLDM-UHFFFAOYSA-L
XLogP1.12
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 51.12
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-methylcyclohexane-1-carboxylate)?
The IUPAC name of cadmium(2+);bis(2-methylcyclohexane-1-carboxylate) (CID 22603924) is cadmium(2+);bis(2-methylcyclohexane-1-carboxylate).
What is the SMILES notation for cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)?
The canonical SMILES for cadmium(2+);bis(2-methylcyclohexane-1-carboxylate) is CC1CCCCC1C(=O)[O-].CC1CCCCC1C(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)?
The InChIKey is ONFHMILQMFZLDM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H14O2.Cd/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*6-7H,2-5H2,1H3,(H,9,10);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)?
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate) has a molecular weight of 394.79 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-methylcyclohexane-1-carboxylate) is sourced from PubChem (CID 22603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).