3-propanoyloxypropane-1-sulfonate;rubidium(1+)

C6H11O5RbS — CID 158823574

IUPAC3-propanoyloxypropane-1-sulfonate;rubidium(1+)
SMILESCCC(=O)OCCCS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C6H12O5S.Rb/c1-2-6(7)11-4-3-5-12(8,9)10;/h2-5H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyIWEDLEAUZGTEQJ-UHFFFAOYSA-M
MW280.68 g/mol
LogP-3.12
Rot. Bonds5

About 3-propanoyloxypropane-1-sulfonate;rubidium(1+)

3-propanoyloxypropane-1-sulfonate;rubidium(1+) (PubChem CID 158823574) has the molecular formula C6H11O5RbS and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-propanoyloxypropane-1-sulfonate;rubidium(1+).

Molecular Properties

Compound Name3-propanoyloxypropane-1-sulfonate;rubidium(1+)
PubChem CID158823574
Molecular FormulaC6H11O5RbS
Molecular Weight280.68 g/mol
Exact Mass279.94
IUPAC Name3-propanoyloxypropane-1-sulfonate;rubidium(1+)
SMILESCCC(=O)OCCCS(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C6H12O5S.Rb/c1-2-6(7)11-4-3-5-12(8,9)10;/h2-5H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyIWEDLEAUZGTEQJ-UHFFFAOYSA-M
XLogP-3.12
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-propanoyloxyethanesulfonate
CID 172853744
4-octanoyloxybutane-1-sulfonate
CID 140615813
14-propanoyloxytetradecyl propanoate
CID 100931915
potassium 3-(2-methylbutanoyloxy)propane-1-sulfonate
CID 58819367
CID 172853862
CID 172853862
2-(trifluoromethylsulfonyl)ethyl propanoate
CID 174567450
3-aminopropyl propanoate;hydrochloride
CID 91621397
pentyl propanoate;hydrofluoride
CID 174645674
potassium 3-prop-2-enoyloxypropane-1-sulfonate
CID 23663682
2-dodecoxy-2-oxoethanesulfonate
CID 58133401
sodium 5-ethoxy-5-oxopentane-1-sulfonate
CID 23703548
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957

Frequently Asked Questions

What is the IUPAC name of 3-propanoyloxypropane-1-sulfonate;rubidium(1+)?
The IUPAC name of 3-propanoyloxypropane-1-sulfonate;rubidium(1+) (CID 158823574) is 3-propanoyloxypropane-1-sulfonate;rubidium(1+).
What is the SMILES notation for 3-propanoyloxypropane-1-sulfonate;rubidium(1+)?
The canonical SMILES for 3-propanoyloxypropane-1-sulfonate;rubidium(1+) is CCC(=O)OCCCS(=O)(=O)[O-].[Rb+].
What is the InChIKey of 3-propanoyloxypropane-1-sulfonate;rubidium(1+)?
The InChIKey is IWEDLEAUZGTEQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O5S.Rb/c1-2-6(7)11-4-3-5-12(8,9)10;/h2-5H2,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of 3-propanoyloxypropane-1-sulfonate;rubidium(1+)?
3-propanoyloxypropane-1-sulfonate;rubidium(1+) has a molecular weight of 280.68 g/mol, XLogP of -3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyloxypropane-1-sulfonate;rubidium(1+) is sourced from PubChem (CID 158823574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).