2-(1-ethenoxyethyl)-1,4-dithiane

C8H14OS2 — CID 176604272

IUPAC2-(1-ethenoxyethyl)-1,4-dithiane
SMILESC=COC(C)C1CSCCS1
InChIInChI=1S/C8H14OS2/c1-3-9-7(2)8-6-10-4-5-11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyOGGLRXPMQIFJHF-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.38
Rot. Bonds3

About 2-(1-ethenoxyethyl)-1,4-dithiane

2-(1-ethenoxyethyl)-1,4-dithiane (PubChem CID 176604272) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)-1,4-dithiane.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)-1,4-dithiane
PubChem CID176604272
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2-(1-ethenoxyethyl)-1,4-dithiane
SMILESC=COC(C)C1CSCCS1
InChIInChI=1S/C8H14OS2/c1-3-9-7(2)8-6-10-4-5-11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyOGGLRXPMQIFJHF-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.38
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

2-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183490
2,3-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 58183658
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176602979
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane
CID 176603310
2-(Ethenoxymethyl)-1,4-dithiane
CID 176604042
2-(1-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176604429
2-(2-Ethenoxyethyl)-1,4-dithiane
CID 176604659
2-(2-Ethenoxyethyl)-1,3-dithiane
CID 10330177
tributyl-[(E)-2-[1-(2-methyl-1,3-dithian-2-yl)propoxy]ethenyl]stannane
CID 177593110

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane?
The IUPAC name of 2-(1-ethenoxyethyl)-1,4-dithiane (CID 176604272) is 2-(1-ethenoxyethyl)-1,4-dithiane.
What is the SMILES notation for 2-(1-ethenoxyethyl)-1,4-dithiane?
The canonical SMILES for 2-(1-ethenoxyethyl)-1,4-dithiane is C=COC(C)C1CSCCS1.
What is the InChIKey of 2-(1-ethenoxyethyl)-1,4-dithiane?
The InChIKey is OGGLRXPMQIFJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-3-9-7(2)8-6-10-4-5-11-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)-1,4-dithiane?
2-(1-ethenoxyethyl)-1,4-dithiane has a molecular weight of 190.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)-1,4-dithiane is sourced from PubChem (CID 176604272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).