octane-1-thiolate;tris(rubidium(1+))

C8H16Rb3S+ — CID 59203356

IUPACoctane-1-thiolate;tris(rubidium(1+))
SMILESCCCCCCC[CH-][S-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C8H16S.3Rb/c1-2-3-4-5-6-7-8-9;;;/h8H,2-7H2,1H3;;;/q-2;3*+1
InChIKeyTXKJPVUIECMMNZ-UHFFFAOYSA-N
MW400.69 g/mol
LogP-5.93
Rot. Bonds6

About octane-1-thiolate;tris(rubidium(1+))

octane-1-thiolate;tris(rubidium(1+)) (PubChem CID 59203356) has the molecular formula C8H16Rb3S+ and a molecular weight of 400.69 g/mol. Its IUPAC name is octane-1-thiolate;tris(rubidium(1+)).

Molecular Properties

Compound Nameoctane-1-thiolate;tris(rubidium(1+))
PubChem CID59203356
Molecular FormulaC8H16Rb3S+
Molecular Weight400.69 g/mol
Exact Mass398.83
IUPAC Nameoctane-1-thiolate;tris(rubidium(1+))
SMILESCCCCCCC[CH-][S-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C8H16S.3Rb/c1-2-3-4-5-6-7-8-9;;;/h8H,2-7H2,1H3;;;/q-2;3*+1
InChIKeyTXKJPVUIECMMNZ-UHFFFAOYSA-N
XLogP-5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 5-5.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

pentane-1-thiolate;tris(rubidium(1+))
CID 59203343
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of octane-1-thiolate;tris(rubidium(1+))?
The IUPAC name of octane-1-thiolate;tris(rubidium(1+)) (CID 59203356) is octane-1-thiolate;tris(rubidium(1+)).
What is the SMILES notation for octane-1-thiolate;tris(rubidium(1+))?
The canonical SMILES for octane-1-thiolate;tris(rubidium(1+)) is CCCCCCC[CH-][S-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of octane-1-thiolate;tris(rubidium(1+))?
The InChIKey is TXKJPVUIECMMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.3Rb/c1-2-3-4-5-6-7-8-9;;;/h8H,2-7H2,1H3;;;/q-2;3*+1.
What are the key properties of octane-1-thiolate;tris(rubidium(1+))?
octane-1-thiolate;tris(rubidium(1+)) has a molecular weight of 400.69 g/mol, XLogP of -5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1-thiolate;tris(rubidium(1+)) is sourced from PubChem (CID 59203356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).