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

C8H14OS2 — CID 176604659

IUPAC2-(2-ethenoxyethyl)-1,4-dithiane
SMILESC=COCCC1CSCCS1
InChIInChI=1S/C8H14OS2/c1-2-9-4-3-8-7-10-5-6-11-8/h2,8H,1,3-7H2
InChIKeyUEJZEKMDTCEZJQ-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.39
Rot. Bonds4

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

2-(2-ethenoxyethyl)-1,4-dithiane (PubChem CID 176604659) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-1,4-dithiane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-1,4-dithiane
PubChem CID176604659
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2-(2-ethenoxyethyl)-1,4-dithiane
SMILESC=COCCC1CSCCS1
InChIInChI=1S/C8H14OS2/c1-2-9-4-3-8-7-10-5-6-11-8/h2,8H,1,3-7H2
InChIKeyUEJZEKMDTCEZJQ-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.39
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-(3-Ethenoxypropyl)-1,4-dithiane
CID 176603259
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane
CID 176603310
2-(2-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176603558
2-(Ethenoxymethyl)-1,4-dithiane
CID 176604042
2-(1-Ethenoxyethyl)-1,4-dithiane
CID 176604272
2-(Ethenoxymethyl)-2-ethyl-1,4-dithiane
CID 176604388
2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane
CID 176604841
2-(Ethenoxymethyl)thiane
CID 176604896
2-Ethenoxy-1,4-dithiane
CID 176891825
2-(2-Ethenoxyethyl)-1,3-dithiane
CID 10330177

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane?
The IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane (CID 176604659) is 2-(2-ethenoxyethyl)-1,4-dithiane.
What is the SMILES notation for 2-(2-ethenoxyethyl)-1,4-dithiane?
The canonical SMILES for 2-(2-ethenoxyethyl)-1,4-dithiane is C=COCCC1CSCCS1.
What is the InChIKey of 2-(2-ethenoxyethyl)-1,4-dithiane?
The InChIKey is UEJZEKMDTCEZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-2-9-4-3-8-7-10-5-6-11-8/h2,8H,1,3-7H2.
What are the key properties of 2-(2-ethenoxyethyl)-1,4-dithiane?
2-(2-ethenoxyethyl)-1,4-dithiane has a molecular weight of 190.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-1,4-dithiane is sourced from PubChem (CID 176604659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).