diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane

C11H24O2S — CID 88587253

IUPACdiethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane
SMILESCC#S(CC)(CC)CCOCCOC
InChIInChI=1S/C11H24O2S/c1-5-14(6-2,7-3)11-10-13-9-8-12-4/h5-6,8-11H2,1-4H3
InChIKeyZPAUWUQLIYFWTN-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.47
Rot. Bonds5

About diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane

diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane (PubChem CID 88587253) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane.

Molecular Properties

Compound Namediethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane
PubChem CID88587253
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Namediethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane
SMILESCC#S(CC)(CC)CCOCCOC
InChIInChI=1S/C11H24O2S/c1-5-14(6-2,7-3)11-10-13-9-8-12-4/h5-6,8-11H2,1-4H3
InChIKeyZPAUWUQLIYFWTN-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane?
The IUPAC name of diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane (CID 88587253) is diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane.
What is the SMILES notation for diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane?
The canonical SMILES for diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane is CC#S(CC)(CC)CCOCCOC.
What is the InChIKey of diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane?
The InChIKey is ZPAUWUQLIYFWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-5-14(6-2,7-3)11-10-13-9-8-12-4/h5-6,8-11H2,1-4H3.
What are the key properties of diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane?
diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane has a molecular weight of 220.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-λ6-sulfane is sourced from PubChem (CID 88587253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).