4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide

C10H18O3S — CID 176604823

IUPAC4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide
SMILESC=COCC1(CC)CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-10(9-13-4-2)5-7-14(11,12)8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyNCZHSODCJNOKHG-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide

4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide (PubChem CID 176604823) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide
PubChem CID176604823
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide
SMILESC=COCC1(CC)CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-10(9-13-4-2)5-7-14(11,12)8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyNCZHSODCJNOKHG-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

3-(ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
CID 66850804
2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605023
[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine
CID 115025405
3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
4-(3-ethenoxypropyl)-4-ethylthiane 1-oxide
CID 176603733
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine
CID 82239487
2-(2-ethenoxyethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605286
ethyl 1,1-dioxo-4-(prop-2-enylamino)thiane-4-carboxylate
CID 62354104

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide?
The IUPAC name of 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide (CID 176604823) is 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide.
What is the SMILES notation for 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide?
The canonical SMILES for 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide is C=COCC1(CC)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide?
The InChIKey is NCZHSODCJNOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-10(9-13-4-2)5-7-14(11,12)8-6-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide?
4-(ethenoxymethyl)-4-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 4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide is sourced from PubChem (CID 176604823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).