2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide

C11H20O3S2 — CID 176604053

IUPAC2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide
SMILESC=COCCCC1(CC)CS(=O)CCS1=O
InChIInChI=1S/C11H20O3S2/c1-3-11(6-5-7-14-4-2)10-15(12)8-9-16(11)13/h4H,2-3,5-10H2,1H3
InChIKeyWYNOIGFXTXTBNR-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.59
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide

2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide (PubChem CID 176604053) has the molecular formula C11H20O3S2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide
PubChem CID176604053
Molecular FormulaC11H20O3S2
Molecular Weight264.41 g/mol
Exact Mass264.09
IUPAC Name2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide
SMILESC=COCCCC1(CC)CS(=O)CCS1=O
InChIInChI=1S/C11H20O3S2/c1-3-11(6-5-7-14-4-2)10-15(12)8-9-16(11)13/h4H,2-3,5-10H2,1H3
InChIKeyWYNOIGFXTXTBNR-UHFFFAOYSA-N
XLogP1.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.59
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

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
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide (CID 176604053) is 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide is C=COCCCC1(CC)CS(=O)CCS1=O.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The InChIKey is WYNOIGFXTXTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S2/c1-3-11(6-5-7-14-4-2)10-15(12)8-9-16(11)13/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide has a molecular weight of 264.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176604053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).