1,3-bis(ethenylsulfonyl)-1-methoxypropane

C8H14O5S2 — CID 167424394

IUPAC1,3-bis(ethenylsulfonyl)-1-methoxypropane
SMILESC=CS(=O)(=O)CCC(OC)S(=O)(=O)C=C
InChIInChI=1S/C8H14O5S2/c1-4-14(9,10)7-6-8(13-3)15(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZPVIOOXWFMWPKY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.47
Rot. Bonds7

About 1,3-bis(ethenylsulfonyl)-1-methoxypropane

1,3-bis(ethenylsulfonyl)-1-methoxypropane (PubChem CID 167424394) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-bis(ethenylsulfonyl)-1-methoxypropane.

Molecular Properties

Compound Name1,3-bis(ethenylsulfonyl)-1-methoxypropane
PubChem CID167424394
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name1,3-bis(ethenylsulfonyl)-1-methoxypropane
SMILESC=CS(=O)(=O)CCC(OC)S(=O)(=O)C=C
InChIInChI=1S/C8H14O5S2/c1-4-14(9,10)7-6-8(13-3)15(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZPVIOOXWFMWPKY-UHFFFAOYSA-N
XLogP0.47
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethenesulfonyl)-2-methoxyethane
CID 59651482
1,1'-(Oxybis(ethylenesulphonyl))diethylene
CID 76525
3-(Methylsulfonyl)propyl methanesulfonate
CID 10262758
1-(Ethenesulfonyl)-4-[4-(ethenesulfonyl)butoxy]butane
CID 19693376
Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
1-Ethenylsulfonyl-1-(1-ethenylsulfonylethoxy)ethane
CID 22027221
1,3-Bis(ethenylsulfonyl)butane
CID 22413157
1,1-Di(ethenesulfonyl)-3-methoxypropane
CID 23440581
1-(Ethenylsulfonylmethoxymethylsulfonyl)ethane
CID 53817409
1-Ethylsulfonyl-2-(2-ethylsulfonylethenoxy)ethene
CID 57105506
1-Ethenylsulfonyl-3-ethoxypropane
CID 57529375
1-(2-Ethenylsulfonylethoxy)propane
CID 58785858

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenylsulfonyl)-1-methoxypropane?
The IUPAC name of 1,3-bis(ethenylsulfonyl)-1-methoxypropane (CID 167424394) is 1,3-bis(ethenylsulfonyl)-1-methoxypropane.
What is the SMILES notation for 1,3-bis(ethenylsulfonyl)-1-methoxypropane?
The canonical SMILES for 1,3-bis(ethenylsulfonyl)-1-methoxypropane is C=CS(=O)(=O)CCC(OC)S(=O)(=O)C=C.
What is the InChIKey of 1,3-bis(ethenylsulfonyl)-1-methoxypropane?
The InChIKey is ZPVIOOXWFMWPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-4-14(9,10)7-6-8(13-3)15(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 1,3-bis(ethenylsulfonyl)-1-methoxypropane?
1,3-bis(ethenylsulfonyl)-1-methoxypropane has a molecular weight of 254.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenylsulfonyl)-1-methoxypropane is sourced from PubChem (CID 167424394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).