2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane

C9H20O2S — CID 59460153

IUPAC2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane
SMILESCCOC(C)OCCSC(C)C
InChIInChI=1S/C9H20O2S/c1-5-10-9(4)11-6-7-12-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyRZGXYHOMKACUMX-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.53
Rot. Bonds7

About 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane

2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane (PubChem CID 59460153) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane.

Molecular Properties

Compound Name2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane
PubChem CID59460153
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane
SMILESCCOC(C)OCCSC(C)C
InChIInChI=1S/C9H20O2S/c1-5-10-9(4)11-6-7-12-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyRZGXYHOMKACUMX-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane?
The IUPAC name of 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane (CID 59460153) is 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane.
What is the SMILES notation for 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane?
The canonical SMILES for 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane is CCOC(C)OCCSC(C)C.
What is the InChIKey of 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane?
The InChIKey is RZGXYHOMKACUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-5-10-9(4)11-6-7-12-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane?
2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane has a molecular weight of 192.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethoxy)ethylsulfanyl]propane is sourced from PubChem (CID 59460153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).