4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide

C10H18O3S — CID 176604191

IUPAC4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide
SMILESC=COCCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-13-7-4-10(2)5-8-14(11,12)9-6-10/h3H,1,4-9H2,2H3
InChIKeyUISOWDSKJSQYGY-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide

4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide (PubChem CID 176604191) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide
PubChem CID176604191
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide
SMILESC=COCCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-13-7-4-10(2)5-8-14(11,12)9-6-10/h3H,1,4-9H2,2H3
InChIKeyUISOWDSKJSQYGY-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
4-(2,3,3-Trimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253222
4-Methyl-4-(2-methylbutan-2-ylsulfonylmethyl)oxane
CID 68205798
2-(3-Methylpentan-3-ylsulfonyl)oxane
CID 69096187
4-Ethylsulfonyl-4-methyloxane
CID 70672848
4-(2,2,3,3-Tetramethylbutylsulfonyl)oxane
CID 89697674
4-(Tert-butylsulfonylmethyl)-4-methyloxane
CID 91145835
4-(Methoxymethyl)-4-methylthiane 1,1-dioxide
CID 118656769
4-(2-Methoxyethyl)thiane 1,1-dioxide
CID 118656786
4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide?
The IUPAC name of 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide (CID 176604191) is 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide.
What is the SMILES notation for 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide?
The canonical SMILES for 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide is C=COCCC1(C)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide?
The InChIKey is UISOWDSKJSQYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-13-7-4-10(2)5-8-14(11,12)9-6-10/h3H,1,4-9H2,2H3.
What are the key properties of 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide?
4-(2-ethenoxyethyl)-4-methylthiane 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 4-(2-ethenoxyethyl)-4-methylthiane 1,1-dioxide is sourced from PubChem (CID 176604191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).