2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane

C9H18O3S2 — CID 14710172

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane
SMILESCOCCOCCOC1SCCCS1
InChIInChI=1S/C9H18O3S2/c1-10-3-4-11-5-6-12-9-13-7-2-8-14-9/h9H,2-8H2,1H3
InChIKeyNWTBWZFWZXPRMA-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.82
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane (PubChem CID 14710172) has the molecular formula C9H18O3S2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane
PubChem CID14710172
Molecular FormulaC9H18O3S2
Molecular Weight238.37 g/mol
Exact Mass238.07
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane
SMILESCOCCOCCOC1SCCCS1
InChIInChI=1S/C9H18O3S2/c1-10-3-4-11-5-6-12-9-13-7-2-8-14-9/h9H,2-8H2,1H3
InChIKeyNWTBWZFWZXPRMA-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane (CID 14710172) is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane is COCCOCCOC1SCCCS1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane?
The InChIKey is NWTBWZFWZXPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S2/c1-10-3-4-11-5-6-12-9-13-7-2-8-14-9/h9H,2-8H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane?
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane has a molecular weight of 238.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dithiane is sourced from PubChem (CID 14710172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).