2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

C9H16O3S — CID 176603136

IUPAC2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1(C)CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-6-12-8-9(2)5-4-7-13(9,10)11/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyYGJQZOUTDYYAJE-ZZXKWVIFSA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds3

About 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (PubChem CID 176603136) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
PubChem CID176603136
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1(C)CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-6-12-8-9(2)5-4-7-13(9,10)11/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyYGJQZOUTDYYAJE-ZZXKWVIFSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Prop-1-enoxythiolane 1,1-dioxide
CID 68960631
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (CID 176603136) is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is C/C=C/OCC1(C)CCCS1(=O)=O.
What is the InChIKey of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The InChIKey is YGJQZOUTDYYAJE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-6-12-8-9(2)5-4-7-13(9,10)11/h3,6H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).