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

C32H50CdO2 — CID 101292611

IUPACcadmium(2+);bis(4-decylphenolate)
SMILESCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCc1ccc([O-])cc1.[Cd+2]
InChIInChI=1S/2C16H26O.Cd/c2*1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;/h2*11-14,17H,2-10H2,1H3;/q;;+2/p-2
InChIKeyOSYTWMXYZIZLME-UHFFFAOYSA-L
MW579.16 g/mol
LogP8.88
Rot. Bonds18

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

cadmium(2+);bis(4-decylphenolate) (PubChem CID 101292611) has the molecular formula C32H50CdO2 and a molecular weight of 579.16 g/mol. Its IUPAC name is cadmium(2+);bis(4-decylphenolate).

Molecular Properties

Compound Namecadmium(2+);bis(4-decylphenolate)
PubChem CID101292611
Molecular FormulaC32H50CdO2
Molecular Weight579.16 g/mol
Exact Mass580.28
IUPAC Namecadmium(2+);bis(4-decylphenolate)
SMILESCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCc1ccc([O-])cc1.[Cd+2]
InChIInChI=1S/2C16H26O.Cd/c2*1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;/h2*11-14,17H,2-10H2,1H3;/q;;+2/p-2
InChIKeyOSYTWMXYZIZLME-UHFFFAOYSA-L
XLogP8.88
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.16
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-nonylphenolate
CID 23694744
barium(2+);bis(4-undecylphenolate)
CID 101292617
1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-methyl-4-octylbenzene
CID 11052746
cadmium(2+);bis(3-hexylphenolate)
CID 101292510
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
(4-undecylphenyl)methanethiol
CID 152658546
CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
CID 141122271

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(4-decylphenolate)?
The IUPAC name of cadmium(2+);bis(4-decylphenolate) (CID 101292611) is cadmium(2+);bis(4-decylphenolate).
What is the SMILES notation for cadmium(2+);bis(4-decylphenolate)?
The canonical SMILES for cadmium(2+);bis(4-decylphenolate) is CCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCc1ccc([O-])cc1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(4-decylphenolate)?
The InChIKey is OSYTWMXYZIZLME-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H26O.Cd/c2*1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;/h2*11-14,17H,2-10H2,1H3;/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(4-decylphenolate)?
cadmium(2+);bis(4-decylphenolate) has a molecular weight of 579.16 g/mol, XLogP of 8.88, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(4-decylphenolate) is sourced from PubChem (CID 101292611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).