2-prop-2-enylbenzenesulfonate;rubidium(1+)

C9H9O3RbS — CID 140773324

IUPAC2-prop-2-enylbenzenesulfonate;rubidium(1+)
SMILESC=CCc1ccccc1S(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C9H10O3S.Rb/c1-2-5-8-6-3-4-7-9(8)13(10,11)12;/h2-4,6-7H,1,5H2,(H,10,11,12);/q;+1/p-1
InChIKeyFOBMMQIIIHFCNP-UHFFFAOYSA-M
MW282.70 g/mol
LogP-1.68
Rot. Bonds3

About 2-prop-2-enylbenzenesulfonate;rubidium(1+)

2-prop-2-enylbenzenesulfonate;rubidium(1+) (PubChem CID 140773324) has the molecular formula C9H9O3RbS and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-prop-2-enylbenzenesulfonate;rubidium(1+).

Molecular Properties

Compound Name2-prop-2-enylbenzenesulfonate;rubidium(1+)
PubChem CID140773324
Molecular FormulaC9H9O3RbS
Molecular Weight282.70 g/mol
Exact Mass281.94
IUPAC Name2-prop-2-enylbenzenesulfonate;rubidium(1+)
SMILESC=CCc1ccccc1S(=O)(=O)[O-].[Rb+]
InChIInChI=1S/C9H10O3S.Rb/c1-2-5-8-6-3-4-7-9(8)13(10,11)12;/h2-4,6-7H,1,5H2,(H,10,11,12);/q;+1/p-1
InChIKeyFOBMMQIIIHFCNP-UHFFFAOYSA-M
XLogP-1.68
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decakis(prop-1-ene);2-prop-2-enylbenzenesulfonic acid
CID 175179213
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CID 175173653
sodium;naphthalene-1-sulfonate;1-phenyl-2-prop-2-enylbenzene
CID 174496781
sodium 2,3,4-tris(prop-2-enyl)benzenesulfonate
CID 88829241
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
hydroxy-oxo-sulfanylphosphanium;2-prop-2-enylbenzenesulfonic acid
CID 174439222
sodium;benzenesulfonate;2-prop-2-enylphenol
CID 174320644
N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide
CID 11383977
2-(2-hydroxyethylamino)ethanol;2-prop-2-enylbenzenesulfonic acid
CID 175295342
calcium bis(2-prop-2-enoxybenzenesulfonate)
CID 87177371
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbenzenesulfonate;rubidium(1+)?
The IUPAC name of 2-prop-2-enylbenzenesulfonate;rubidium(1+) (CID 140773324) is 2-prop-2-enylbenzenesulfonate;rubidium(1+).
What is the SMILES notation for 2-prop-2-enylbenzenesulfonate;rubidium(1+)?
The canonical SMILES for 2-prop-2-enylbenzenesulfonate;rubidium(1+) is C=CCc1ccccc1S(=O)(=O)[O-].[Rb+].
What is the InChIKey of 2-prop-2-enylbenzenesulfonate;rubidium(1+)?
The InChIKey is FOBMMQIIIHFCNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3S.Rb/c1-2-5-8-6-3-4-7-9(8)13(10,11)12;/h2-4,6-7H,1,5H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of 2-prop-2-enylbenzenesulfonate;rubidium(1+)?
2-prop-2-enylbenzenesulfonate;rubidium(1+) has a molecular weight of 282.70 g/mol, XLogP of -1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbenzenesulfonate;rubidium(1+) is sourced from PubChem (CID 140773324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).