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

C8H14O5S2 — CID 23440581

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

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

1,1-bis(ethenylsulfonyl)-3-methoxypropane (PubChem CID 23440581) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,1-bis(ethenylsulfonyl)-3-methoxypropane.

Molecular Properties

Compound Name1,1-bis(ethenylsulfonyl)-3-methoxypropane
PubChem CID23440581
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Name1,1-bis(ethenylsulfonyl)-3-methoxypropane
SMILESC=CS(=O)(=O)C(CCOC)S(=O)(=O)C=C
InChIInChI=1S/C8H14O5S2/c1-4-14(9,10)8(6-7-13-3)15(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyHWULECBEYQPMKS-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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenylsulfonyl)-3-methoxypropane?
The IUPAC name of 1,1-bis(ethenylsulfonyl)-3-methoxypropane (CID 23440581) is 1,1-bis(ethenylsulfonyl)-3-methoxypropane.
What is the SMILES notation for 1,1-bis(ethenylsulfonyl)-3-methoxypropane?
The canonical SMILES for 1,1-bis(ethenylsulfonyl)-3-methoxypropane is C=CS(=O)(=O)C(CCOC)S(=O)(=O)C=C.
What is the InChIKey of 1,1-bis(ethenylsulfonyl)-3-methoxypropane?
The InChIKey is HWULECBEYQPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-4-14(9,10)8(6-7-13-3)15(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 1,1-bis(ethenylsulfonyl)-3-methoxypropane?
1,1-bis(ethenylsulfonyl)-3-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 1,1-bis(ethenylsulfonyl)-3-methoxypropane is sourced from PubChem (CID 23440581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).