prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate

C5H9O7PS — CID 130201589

IUPACprop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
SMILESC=CCOS(=O)(=O)P1(=O)OCCOO1
InChIInChI=1S/C5H9O7PS/c1-2-3-11-14(7,8)13(6)10-5-4-9-12-13/h2H,1,3-5H2
InChIKeyGCMOGHFFOZNZLH-UHFFFAOYSA-N
MW244.16 g/mol
LogP0.61
Rot. Bonds4

About prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate

prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate (PubChem CID 130201589) has the molecular formula C5H9O7PS and a molecular weight of 244.16 g/mol. Its IUPAC name is prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
PubChem CID130201589
Molecular FormulaC5H9O7PS
Molecular Weight244.16 g/mol
Exact Mass243.98
IUPAC Nameprop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
SMILESC=CCOS(=O)(=O)P1(=O)OCCOO1
InChIInChI=1S/C5H9O7PS/c1-2-3-11-14(7,8)13(6)10-5-4-9-12-13/h2H,1,3-5H2
InChIKeyGCMOGHFFOZNZLH-UHFFFAOYSA-N
XLogP0.61
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-silylsulfonyloxyprop-1-ene
CID 173032447
lithium prop-2-enyl sulfate
CID 87403119
CID 87404163
CID 87404163
aluminum tris(prop-2-enyl sulfate)
CID 173336945
2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
CID 170686944
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
prop-2-enyl cycloheptanesulfonate
CID 174828700
5-prop-2-enoxy-1,4,2,3,5λ5-dioxadithiaphospholane 5-oxide
CID 87945515
prop-2-enyl trifluoromethanesulfonate;silane
CID 174615184
nitroso prop-2-enyl sulfate
CID 151816255
cerium;prop-2-enyl benzenesulfonate
CID 174496226

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate?
The IUPAC name of prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate (CID 130201589) is prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate.
What is the SMILES notation for prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate?
The canonical SMILES for prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate is C=CCOS(=O)(=O)P1(=O)OCCOO1.
What is the InChIKey of prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate?
The InChIKey is GCMOGHFFOZNZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O7PS/c1-2-3-11-14(7,8)13(6)10-5-4-9-12-13/h2H,1,3-5H2.
What are the key properties of prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate?
prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate has a molecular weight of 244.16 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate is sourced from PubChem (CID 130201589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).