3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide

C10H18O3S — CID 176603876

IUPAC3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide
SMILESC=COCC1(CC)CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-10(8-13-4-2)6-5-7-14(11,12)9-10/h4H,2-3,5-9H2,1H3
InChIKeyKGTMTDMFLSFANT-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide

3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide (PubChem CID 176603876) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide
PubChem CID176603876
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide
SMILESC=COCC1(CC)CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-10(8-13-4-2)6-5-7-14(11,12)9-10/h4H,2-3,5-9H2,1H3
InChIKeyKGTMTDMFLSFANT-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
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

4-Methyl-4-(2-methylbutan-2-ylsulfonylmethyl)oxane
CID 68205798
4-(Tert-butylsulfonylmethyl)-4-methyloxane
CID 91145835
4-(Methoxymethyl)-4-methylthiane 1,1-dioxide
CID 118656769
4-(Methoxymethyl)-2,2,4-trimethyl-1-methylsulfonylhexane
CID 156141120
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiane 1,1-dioxide
CID 176603293
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide?
The IUPAC name of 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide (CID 176603876) is 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide is C=COCC1(CC)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide?
The InChIKey is KGTMTDMFLSFANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-10(8-13-4-2)6-5-7-14(11,12)9-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide?
3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-ethylthiane 1,1-dioxide is sourced from PubChem (CID 176603876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).