cadmium(2+);bis(3-hexylphenolate)

C24H34CdO2 — CID 101292510

IUPACcadmium(2+);bis(3-hexylphenolate)
SMILESCCCCCCc1cccc([O-])c1.CCCCCCc1cccc([O-])c1.[Cd+2]
InChIInChI=1S/2C12H18O.Cd/c2*1-2-3-4-5-7-11-8-6-9-12(13)10-11;/h2*6,8-10,13H,2-5,7H2,1H3;/q;;+2/p-2
InChIKeyAZCPSHVCKFXJNT-UHFFFAOYSA-L
MW466.95 g/mol
LogP5.76
Rot. Bonds10

About cadmium(2+);bis(3-hexylphenolate)

cadmium(2+);bis(3-hexylphenolate) (PubChem CID 101292510) has the molecular formula C24H34CdO2 and a molecular weight of 466.95 g/mol. Its IUPAC name is cadmium(2+);bis(3-hexylphenolate).

Molecular Properties

Compound Namecadmium(2+);bis(3-hexylphenolate)
PubChem CID101292510
Molecular FormulaC24H34CdO2
Molecular Weight466.95 g/mol
Exact Mass468.16
IUPAC Namecadmium(2+);bis(3-hexylphenolate)
SMILESCCCCCCc1cccc([O-])c1.CCCCCCc1cccc([O-])c1.[Cd+2]
InChIInChI=1S/2C12H18O.Cd/c2*1-2-3-4-5-7-11-8-6-9-12(13)10-11;/h2*6,8-10,13H,2-5,7H2,1H3;/q;;+2/p-2
InChIKeyAZCPSHVCKFXJNT-UHFFFAOYSA-L
XLogP5.76
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cadmium(2+);bis(3-hexylphenolate) 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

barium(2+);bis(3-octylphenolate)
CID 101292599
1,3-di(tetradecyl)benzene
CID 91053224
cadmium(2+);bis(4-decylphenolate)
CID 101292611
3-docosylaniline
CID 139654071
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
1-iodo-3-octylbenzene
CID 134966058
1-chloro-3-octylbenzene
CID 11458768
trimethyl-[(3-octadecylphenyl)methyl]azanium hydroxide
CID 88722679
1-benzyl-3-pentadecylbenzene
CID 173121378
3-octylbenzoate
CID 140615261
dimethyl-[3-(3-nonylphenyl)propyl]azanium nitrate
CID 158759963

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(3-hexylphenolate)?
The IUPAC name of cadmium(2+);bis(3-hexylphenolate) (CID 101292510) is cadmium(2+);bis(3-hexylphenolate).
What is the SMILES notation for cadmium(2+);bis(3-hexylphenolate)?
The canonical SMILES for cadmium(2+);bis(3-hexylphenolate) is CCCCCCc1cccc([O-])c1.CCCCCCc1cccc([O-])c1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(3-hexylphenolate)?
The InChIKey is AZCPSHVCKFXJNT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.Cd/c2*1-2-3-4-5-7-11-8-6-9-12(13)10-11;/h2*6,8-10,13H,2-5,7H2,1H3;/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(3-hexylphenolate)?
cadmium(2+);bis(3-hexylphenolate) has a molecular weight of 466.95 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(3-hexylphenolate) is sourced from PubChem (CID 101292510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).