prop-2-enyl prop-2-enylsulfonylformate

C7H10O4S — CID 87548904

IUPACprop-2-enyl prop-2-enylsulfonylformate
SMILESC=CCOC(=O)S(=O)(=O)CC=C
InChIInChI=1S/C7H10O4S/c1-3-5-11-7(8)12(9,10)6-4-2/h3-4H,1-2,5-6H2
InChIKeyAXJBIEAPZSDPIR-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.91
Rot. Bonds4

About prop-2-enyl prop-2-enylsulfonylformate

prop-2-enyl prop-2-enylsulfonylformate (PubChem CID 87548904) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is prop-2-enyl prop-2-enylsulfonylformate.

Molecular Properties

Compound Nameprop-2-enyl prop-2-enylsulfonylformate
PubChem CID87548904
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Nameprop-2-enyl prop-2-enylsulfonylformate
SMILESC=CCOC(=O)S(=O)(=O)CC=C
InChIInChI=1S/C7H10O4S/c1-3-5-11-7(8)12(9,10)6-4-2/h3-4H,1-2,5-6H2
InChIKeyAXJBIEAPZSDPIR-UHFFFAOYSA-N
XLogP0.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [(E)-but-2-enyl]sulfonylformate
CID 134993028
[(E)-3-methylsulfonylprop-2-enyl] acetate
CID 11423900
3-(1-Methylsulfonylethoxy)prop-1-ene
CID 18333480
2-Ethylsulfonylethyl prop-2-enyl carbonate
CID 22979560
2-Methylsulfonylethyl prop-2-enyl carbonate
CID 22979561
3-Methylsulfonylprop-2-enyl acetate
CID 54002799
3-Tert-butylsulfonylprop-2-enyl carbonochloridate
CID 54529940
Allyl methanesulfonylethyl ether
CID 57200585
Prop-2-enyl prop-2-enylsulfanylformate
CID 87499921
3-Ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene
CID 87517664
1-Prop-2-enylsulfonylprop-2-enyl prop-2-enoate
CID 88369325
2-Ethenylsulfonylethyl prop-2-enoate
CID 88560148

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl prop-2-enylsulfonylformate?
The IUPAC name of prop-2-enyl prop-2-enylsulfonylformate (CID 87548904) is prop-2-enyl prop-2-enylsulfonylformate.
What is the SMILES notation for prop-2-enyl prop-2-enylsulfonylformate?
The canonical SMILES for prop-2-enyl prop-2-enylsulfonylformate is C=CCOC(=O)S(=O)(=O)CC=C.
What is the InChIKey of prop-2-enyl prop-2-enylsulfonylformate?
The InChIKey is AXJBIEAPZSDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-3-5-11-7(8)12(9,10)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enyl prop-2-enylsulfonylformate?
prop-2-enyl prop-2-enylsulfonylformate has a molecular weight of 190.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl prop-2-enylsulfonylformate is sourced from PubChem (CID 87548904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).