potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)

C56H106KO4Rb — CID 20510723

IUPACpotassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)
SMILESCCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.CCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.[K+].[Rb+]
InChIInChI=1S/2C28H54O2.K.Rb/c2*1-3-5-6-7-8-13-16-19-22-26(4-2)25-28(27(29)30)23-20-17-14-11-9-10-12-15-18-21-24-28;;/h2*26H,3-25H2,1-2H3,(H,29,30);;/q;;2*+1/p-2
InChIKeyPLAFOTIDUMYGQO-UHFFFAOYSA-L
MW968.03 g/mol
LogP10.74
Rot. Bonds26

About potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)

potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+) (PubChem CID 20510723) has the molecular formula C56H106KO4Rb and a molecular weight of 968.03 g/mol. Its IUPAC name is potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+).

Molecular Properties

Compound Namepotassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)
PubChem CID20510723
Molecular FormulaC56H106KO4Rb
Molecular Weight968.03 g/mol
Exact Mass966.68
IUPAC Namepotassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)
SMILESCCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.CCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.[K+].[Rb+]
InChIInChI=1S/2C28H54O2.K.Rb/c2*1-3-5-6-7-8-13-16-19-22-26(4-2)25-28(27(29)30)23-20-17-14-11-9-10-12-15-18-21-24-28;;/h2*26H,3-25H2,1-2H3,(H,29,30);;/q;;2*+1/p-2
InChIKeyPLAFOTIDUMYGQO-UHFFFAOYSA-L
XLogP10.74
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.03
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pentylcyclohexane-1-carboxylate
CID 22407698
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylbutyl)cyclohexane-1-carbothioic S-acid
CID 123653891
sodium 9-ethyloctadecanoate
CID 23382374
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
12-ethyltetradecane-6,7-dione
CID 87921559
3-ethylpentacosane
CID 22224239
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)?
The IUPAC name of potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+) (CID 20510723) is potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+).
What is the SMILES notation for potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)?
The canonical SMILES for potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+) is CCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.CCCCCCCCCCC(CC)CC1(C(=O)[O-])CCCCCCCCCCCC1.[K+].[Rb+].
What is the InChIKey of potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)?
The InChIKey is PLAFOTIDUMYGQO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H54O2.K.Rb/c2*1-3-5-6-7-8-13-16-19-22-26(4-2)25-28(27(29)30)23-20-17-14-11-9-10-12-15-18-21-24-28;;/h2*26H,3-25H2,1-2H3,(H,29,30);;/q;;2*+1/p-2.
What are the key properties of potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+)?
potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+) has a molecular weight of 968.03 g/mol, XLogP of 10.74, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(1-(2-ethyldodecyl)cyclotridecane-1-carboxylate);rubidium(1+) is sourced from PubChem (CID 20510723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).