2-(ethenoxymethyl)-2-methylthiane 1-oxide

C9H16O2S — CID 176603949

IUPAC2-(ethenoxymethyl)-2-methylthiane 1-oxide
SMILESC=COCC1(C)CCCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-11-8-9(2)6-4-5-7-12(9)10/h3H,1,4-8H2,2H3
InChIKeyLIMWIVWVOPAXLK-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.84
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiane 1-oxide

2-(ethenoxymethyl)-2-methylthiane 1-oxide (PubChem CID 176603949) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiane 1-oxide
PubChem CID176603949
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-(ethenoxymethyl)-2-methylthiane 1-oxide
SMILESC=COCC1(C)CCCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-11-8-9(2)6-4-5-7-12(9)10/h3H,1,4-8H2,2H3
InChIKeyLIMWIVWVOPAXLK-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.84
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

2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiane 1-oxide (CID 176603949) is 2-(ethenoxymethyl)-2-methylthiane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiane 1-oxide is C=COCC1(C)CCCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiane 1-oxide?
The InChIKey is LIMWIVWVOPAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-11-8-9(2)6-4-5-7-12(9)10/h3H,1,4-8H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiane 1-oxide?
2-(ethenoxymethyl)-2-methylthiane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiane 1-oxide is sourced from PubChem (CID 176603949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).