3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide

C10H18O2S — CID 176603504

IUPAC3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
SMILESCC(C)=COCC1(C)CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-9(2)6-12-7-10(3)4-5-13(11)8-10/h6H,4-5,7-8H2,1-3H3
InChIKeyHIMGSDXLJKTNJC-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds3

About 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide

3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide (PubChem CID 176603504) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
PubChem CID176603504
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
SMILESCC(C)=COCC1(C)CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-9(2)6-12-7-10(3)4-5-13(11)8-10/h6H,4-5,7-8H2,1-3H3
InChIKeyHIMGSDXLJKTNJC-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603357
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
3-(Ethenoxymethyl)-3-methylthiolane 1-oxide
CID 176603677
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide (CID 176603504) is 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide is CC(C)=COCC1(C)CCS(=O)C1.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The InChIKey is HIMGSDXLJKTNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2)6-12-7-10(3)4-5-13(11)8-10/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide is sourced from PubChem (CID 176603504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).