2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide

C8H14O3S — CID 176604293

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
SMILESCC(C)=COC(C)C1CS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-6(2)4-11-7(3)8-5-12(8,9)10/h4,7-8H,5H2,1-3H3
InChIKeyQMDQEENVYUUNDA-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds3

About 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide

2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide (PubChem CID 176604293) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
PubChem CID176604293
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
SMILESCC(C)=COC(C)C1CS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-6(2)4-11-7(3)8-5-12(8,9)10/h4,7-8H,5H2,1-3H3
InChIKeyQMDQEENVYUUNDA-UHFFFAOYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176603229
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603354
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176603568
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603933
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane 1,1-dioxide
CID 176604117
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176604513
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604546
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176604980
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176605087
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176605153

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide (CID 176604293) is 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide is CC(C)=COC(C)C1CS1(=O)=O.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide?
The InChIKey is QMDQEENVYUUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-6(2)4-11-7(3)8-5-12(8,9)10/h4,7-8H,5H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide?
2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide is sourced from PubChem (CID 176604293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).