2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane

C10H20O2S2 — CID 11333837

IUPAC2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane
SMILESCCOC(C)OCCC1SCCCS1
InChIInChI=1S/C10H20O2S2/c1-3-11-9(2)12-6-5-10-13-7-4-8-14-10/h9-10H,3-8H2,1-2H3
InChIKeyJYEIIJIKDKPXQN-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane

2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane (PubChem CID 11333837) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane
PubChem CID11333837
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane
SMILESCCOC(C)OCCC1SCCCS1
InChIInChI=1S/C10H20O2S2/c1-3-11-9(2)12-6-5-10-13-7-4-8-14-10/h9-10H,3-8H2,1-2H3
InChIKeyJYEIIJIKDKPXQN-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methional diethyl acetal
CID 85521
2-(2,2-Dimethoxyethyl)-1,3-dithiane
CID 13167015
2-[3-(1-Ethoxyethoxy)propyl][1,3]dithiane
CID 600786
2-(2,2-Diethoxyethyl)-1,3-dithiane
CID 13192745
1,1-Diethoxy-2-(propan-2-ylsulfanyl)ethane
CID 14974110
trans-2-t-Butyl-5-(t-butylthio)-1,3-dioxane
CID 13841259
2-(1,3-Dithian-2-ylmethyl)-1,3-dioxolane
CID 13952910
CID 13952911
CID 13952911
CID 134895223
CID 134895223
2,4,6-Triethyl-[1,3,5]dioxathiane, stereoisomer 1
CID 91750809
1,3-Dithiane, 2-[4-(1-ethoxyethoxy)butyl]
CID 576633
2-[2-(1,3-Dithian-2-yl)ethyl]-1,3-dioxolane
CID 583278

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane?
The IUPAC name of 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane (CID 11333837) is 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane.
What is the SMILES notation for 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane?
The canonical SMILES for 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane is CCOC(C)OCCC1SCCCS1.
What is the InChIKey of 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane?
The InChIKey is JYEIIJIKDKPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S2/c1-3-11-9(2)12-6-5-10-13-7-4-8-14-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane?
2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane has a molecular weight of 236.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethoxy)ethyl]-1,3-dithiane is sourced from PubChem (CID 11333837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).