2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane

C12H26O2S2 — CID 155415621

IUPAC2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
SMILESCC(C)OCCSCCSCCOC(C)C
InChIInChI=1S/C12H26O2S2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyPOALLLNRJXXTHS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.30
Rot. Bonds11

About 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane

2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane (PubChem CID 155415621) has the molecular formula C12H26O2S2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane.

Molecular Properties

Compound Name2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
PubChem CID155415621
Molecular FormulaC12H26O2S2
Molecular Weight266.47 g/mol
Exact Mass266.14
IUPAC Name2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
SMILESCC(C)OCCSCCSCCOC(C)C
InChIInChI=1S/C12H26O2S2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyPOALLLNRJXXTHS-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane?
The IUPAC name of 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane (CID 155415621) is 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane.
What is the SMILES notation for 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane?
The canonical SMILES for 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane is CC(C)OCCSCCSCCOC(C)C.
What is the InChIKey of 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane?
The InChIKey is POALLLNRJXXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane?
2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane has a molecular weight of 266.47 g/mol, XLogP of 3.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane is sourced from PubChem (CID 155415621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).