2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane

C7H12O4S2 — CID 13298799

IUPAC2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
SMILESC=CC1CC1(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H12O4S2/c1-4-6-5-7(6,12(2,8)9)13(3,10)11/h4,6H,1,5H2,2-3H3
InChIKeyIXOSZPSVQRGOGC-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.02
Rot. Bonds3

About 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane

2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane (PubChem CID 13298799) has the molecular formula C7H12O4S2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane.

Molecular Properties

Compound Name2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
PubChem CID13298799
Molecular FormulaC7H12O4S2
Molecular Weight224.30 g/mol
Exact Mass224.02
IUPAC Name2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
SMILESC=CC1CC1(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H12O4S2/c1-4-6-5-7(6,12(2,8)9)13(3,10)11/h4,6H,1,5H2,2-3H3
InChIKeyIXOSZPSVQRGOGC-UHFFFAOYSA-N
XLogP-0.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane?
The IUPAC name of 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane (CID 13298799) is 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane.
What is the SMILES notation for 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane?
The canonical SMILES for 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane is C=CC1CC1(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane?
The InChIKey is IXOSZPSVQRGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S2/c1-4-6-5-7(6,12(2,8)9)13(3,10)11/h4,6H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane?
2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane has a molecular weight of 224.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane is sourced from PubChem (CID 13298799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).