2-(2-propan-2-ylsulfanylethoxy)oxane

C10H20O2S — CID 59460174

IUPAC2-(2-propan-2-ylsulfanylethoxy)oxane
SMILESCC(C)SCCOC1CCCCO1
InChIInChI=1S/C10H20O2S/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9-10H,3-8H2,1-2H3
InChIKeyPQVMHCAHUOTWBM-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-propan-2-ylsulfanylethoxy)oxane

2-(2-propan-2-ylsulfanylethoxy)oxane (PubChem CID 59460174) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylethoxy)oxane.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylethoxy)oxane
PubChem CID59460174
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name2-(2-propan-2-ylsulfanylethoxy)oxane
SMILESCC(C)SCCOC1CCCCO1
InChIInChI=1S/C10H20O2S/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9-10H,3-8H2,1-2H3
InChIKeyPQVMHCAHUOTWBM-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.67
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-propan-2-ylsulfanylethoxy)oxane?
The IUPAC name of 2-(2-propan-2-ylsulfanylethoxy)oxane (CID 59460174) is 2-(2-propan-2-ylsulfanylethoxy)oxane.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylethoxy)oxane?
The canonical SMILES for 2-(2-propan-2-ylsulfanylethoxy)oxane is CC(C)SCCOC1CCCCO1.
What is the InChIKey of 2-(2-propan-2-ylsulfanylethoxy)oxane?
The InChIKey is PQVMHCAHUOTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfanylethoxy)oxane?
2-(2-propan-2-ylsulfanylethoxy)oxane has a molecular weight of 204.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylethoxy)oxane is sourced from PubChem (CID 59460174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).