cadmium(2+);bis(4-propylbenzoate)

C20H22CdO4 — CID 101299923

IUPACcadmium(2+);bis(4-propylbenzoate)
SMILESCCCc1ccc(C(=O)[O-])cc1.CCCc1ccc(C(=O)[O-])cc1.[Cd+2]
InChIInChI=1S/2C10H12O2.Cd/c2*1-2-3-8-4-6-9(7-5-8)10(11)12;/h2*4-7H,2-3H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeyFPVVWZHNQUFHST-UHFFFAOYSA-L
MW438.80 g/mol
LogP2.00
Rot. Bonds6

About cadmium(2+);bis(4-propylbenzoate)

cadmium(2+);bis(4-propylbenzoate) (PubChem CID 101299923) has the molecular formula C20H22CdO4 and a molecular weight of 438.80 g/mol. Its IUPAC name is cadmium(2+);bis(4-propylbenzoate).

Molecular Properties

Compound Namecadmium(2+);bis(4-propylbenzoate)
PubChem CID101299923
Molecular FormulaC20H22CdO4
Molecular Weight438.80 g/mol
Exact Mass440.06
IUPAC Namecadmium(2+);bis(4-propylbenzoate)
SMILESCCCc1ccc(C(=O)[O-])cc1.CCCc1ccc(C(=O)[O-])cc1.[Cd+2]
InChIInChI=1S/2C10H12O2.Cd/c2*1-2-3-8-4-6-9(7-5-8)10(11)12;/h2*4-7H,2-3H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeyFPVVWZHNQUFHST-UHFFFAOYSA-L
XLogP2.00
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cadmium(2+);bis(4-propylbenzoate) 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

CID 101297352
CID 101297352
4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
sodium 4-decylbenzoate
CID 68743346
potassium 4-ethylbenzoate
CID 23708087
barium(2+);bis(4-ethylbenzoate)
CID 101299929
4-(2-chloroethyl)benzoate
CID 7019625
4-(2-azaniumylethyl)benzoate
CID 6951257
ethane;4-propylbenzoic acid
CID 91047964
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
dicopper;tetrakis(4-ethylbenzoate);methylsulfinylmethane
CID 139052599
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(4-propylbenzoate)?
The IUPAC name of cadmium(2+);bis(4-propylbenzoate) (CID 101299923) is cadmium(2+);bis(4-propylbenzoate).
What is the SMILES notation for cadmium(2+);bis(4-propylbenzoate)?
The canonical SMILES for cadmium(2+);bis(4-propylbenzoate) is CCCc1ccc(C(=O)[O-])cc1.CCCc1ccc(C(=O)[O-])cc1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(4-propylbenzoate)?
The InChIKey is FPVVWZHNQUFHST-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O2.Cd/c2*1-2-3-8-4-6-9(7-5-8)10(11)12;/h2*4-7H,2-3H2,1H3,(H,11,12);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(4-propylbenzoate)?
cadmium(2+);bis(4-propylbenzoate) has a molecular weight of 438.80 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(4-propylbenzoate) is sourced from PubChem (CID 101299923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).