3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene

C10H14O5S2 — CID 87517664

IUPAC3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene
SMILESC=CC(OC(C=C)S(=O)(=O)C=C)S(=O)(=O)C=C
InChIInChI=1S/C10H14O5S2/c1-5-9(16(11,12)7-3)15-10(6-2)17(13,14)8-4/h5-10H,1-4H2
InChIKeyUJLJEDWTZOQQJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.14
Rot. Bonds8

About 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene

3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene (PubChem CID 87517664) has the molecular formula C10H14O5S2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene
PubChem CID87517664
Molecular FormulaC10H14O5S2
Molecular Weight278.35 g/mol
Exact Mass278.03
IUPAC Name3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene
SMILESC=CC(OC(C=C)S(=O)(=O)C=C)S(=O)(=O)C=C
InChIInChI=1S/C10H14O5S2/c1-5-9(16(11,12)7-3)15-10(6-2)17(13,14)8-4/h5-10H,1-4H2
InChIKeyUJLJEDWTZOQQJA-UHFFFAOYSA-N
XLogP1.14
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene?
The IUPAC name of 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene (CID 87517664) is 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene?
The canonical SMILES for 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene is C=CC(OC(C=C)S(=O)(=O)C=C)S(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene?
The InChIKey is UJLJEDWTZOQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S2/c1-5-9(16(11,12)7-3)15-10(6-2)17(13,14)8-4/h5-10H,1-4H2.
What are the key properties of 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene?
3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene has a molecular weight of 278.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-3-(1-ethenylsulfonylprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 87517664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).