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

C10H22O2S — CID 537511

IUPAC2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane
SMILESCC(C)OCCSCCOC(C)C
InChIInChI=1S/C10H22O2S/c1-9(2)11-5-7-13-8-6-12-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyIBBZWBOPPLDISU-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.57
Rot. Bonds8

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

2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane (PubChem CID 537511) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane.

Molecular Properties

Compound Name2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane
PubChem CID537511
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane
SMILESCC(C)OCCSCCOC(C)C
InChIInChI=1S/C10H22O2S/c1-9(2)11-5-7-13-8-6-12-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyIBBZWBOPPLDISU-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propan-2-yloxyethylsulfanyl)ethoxy]propane?
The IUPAC name of 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane (CID 537511) is 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane.
What is the SMILES notation for 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane?
The canonical SMILES for 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane is CC(C)OCCSCCOC(C)C.
What is the InChIKey of 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane?
The InChIKey is IBBZWBOPPLDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-9(2)11-5-7-13-8-6-12-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane?
2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane has a molecular weight of 206.35 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]propane is sourced from PubChem (CID 537511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).