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

C34H54CdO2 — CID 101292618

IUPACcadmium(2+);bis(2-undecylphenolate)
SMILESCCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCc1ccccc1[O-].[Cd+2]
InChIInChI=1S/2C17H28O.Cd/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18;/h2*11-12,14-15,18H,2-10,13H2,1H3;/q;;+2/p-2
InChIKeyLZZBHWIVDYSZIO-UHFFFAOYSA-L
MW607.22 g/mol
LogP9.66
Rot. Bonds20

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

cadmium(2+);bis(2-undecylphenolate) (PubChem CID 101292618) has the molecular formula C34H54CdO2 and a molecular weight of 607.22 g/mol. Its IUPAC name is cadmium(2+);bis(2-undecylphenolate).

Molecular Properties

Compound Namecadmium(2+);bis(2-undecylphenolate)
PubChem CID101292618
Molecular FormulaC34H54CdO2
Molecular Weight607.22 g/mol
Exact Mass608.32
IUPAC Namecadmium(2+);bis(2-undecylphenolate)
SMILESCCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCc1ccccc1[O-].[Cd+2]
InChIInChI=1S/2C17H28O.Cd/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18;/h2*11-12,14-15,18H,2-10,13H2,1H3;/q;;+2/p-2
InChIKeyLZZBHWIVDYSZIO-UHFFFAOYSA-L
XLogP9.66
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.22
LogP ≤ 59.66
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

cadmium(2+);bis(2-heptylphenolate)
CID 101292517
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barium(2+);bis(2-decylphenolate)
CID 101292606
butane;2-nonylphenolate;stannanylium
CID 171039612
disodium;2,2-dimethyloxirane;bis(2-nonylphenolate)
CID 159141315
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-dihexylbenzene;hydrate
CID 172833093
calcium 3-dodecyl-2-[(2-dodecyl-6-oxidophenyl)methyl]phenolate
CID 101275870

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-undecylphenolate)?
The IUPAC name of cadmium(2+);bis(2-undecylphenolate) (CID 101292618) is cadmium(2+);bis(2-undecylphenolate).
What is the SMILES notation for cadmium(2+);bis(2-undecylphenolate)?
The canonical SMILES for cadmium(2+);bis(2-undecylphenolate) is CCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCc1ccccc1[O-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(2-undecylphenolate)?
The InChIKey is LZZBHWIVDYSZIO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H28O.Cd/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18;/h2*11-12,14-15,18H,2-10,13H2,1H3;/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-undecylphenolate)?
cadmium(2+);bis(2-undecylphenolate) has a molecular weight of 607.22 g/mol, XLogP of 9.66, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-undecylphenolate) is sourced from PubChem (CID 101292618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).