3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

C10H16O4S — CID 3094474

IUPAC3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCOC1CS(=O)(=O)CC1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyKDHWGEZUFBKRRL-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.56
Rot. Bonds6

About 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (PubChem CID 3094474) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
PubChem CID3094474
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCOC1CS(=O)(=O)CC1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyKDHWGEZUFBKRRL-UHFFFAOYSA-N
XLogP0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, tetrahydro-3-(2-propenyloxy)-, 1,1-dioxide
CID 2801708
3-(1,3-Bis-(allyloxy)-2-propoxy)-tetrahydrothiophene 1,1-dioxide
CID 315893
3-But-2-enoxythiolane 1,1-dioxide
CID 315890
3-But-3-en-2-yloxythiolane 1,1-dioxide
CID 70631354
3-[(2E)-2-butenyloxy]tetrahydrothiophene 1,1-dioxide
CID 6367344
Allyloxyethoxy sulfolane
CID 22497279
1-Methylidene-3-prop-2-enoxythiolane 1-oxide
CID 57782401
4,5-Bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 89314003
4,5-Bis(prop-2-enylsulfonylmethyl)-1,3,2-dioxathiolane 2-oxide
CID 89314061
3-(2-Hydroxy-3-prop-2-enoxypropyl)sulfanylpropane-1-sulfonic acid
CID 89866025
3-[2-(2-Prop-2-enoxyethylsulfonyl)ethoxy]prop-1-ene
CID 90011238
1-(2-Hydroxy-3-prop-2-enoxypropyl)sulfonyl-3-prop-2-enoxypropan-2-ol
CID 154928882

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The IUPAC name of 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (CID 3094474) is 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is C=CCOC1CS(=O)(=O)CC1OCC=C.
What is the InChIKey of 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The InChIKey is KDHWGEZUFBKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide has a molecular weight of 232.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 3094474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).