1-ethylsulfanyl-1-methoxydecane

C13H28OS — CID 23651751

IUPAC1-ethylsulfanyl-1-methoxydecane
SMILESCCCCCCCCCC(OC)SCC
InChIInChI=1S/C13H28OS/c1-4-6-7-8-9-10-11-12-13(14-3)15-5-2/h13H,4-12H2,1-3H3
InChIKeyILWRBXXTZBVTGD-UHFFFAOYSA-N
MW232.43 g/mol
LogP4.85
Rot. Bonds11

About 1-ethylsulfanyl-1-methoxydecane

1-ethylsulfanyl-1-methoxydecane (PubChem CID 23651751) has the molecular formula C13H28OS and a molecular weight of 232.43 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-methoxydecane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-methoxydecane
PubChem CID23651751
Molecular FormulaC13H28OS
Molecular Weight232.43 g/mol
Exact Mass232.19
IUPAC Name1-ethylsulfanyl-1-methoxydecane
SMILESCCCCCCCCCC(OC)SCC
InChIInChI=1S/C13H28OS/c1-4-6-7-8-9-10-11-12-13(14-3)15-5-2/h13H,4-12H2,1-3H3
InChIKeyILWRBXXTZBVTGD-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethylsulfanyl-1-methoxydecane?
The IUPAC name of 1-ethylsulfanyl-1-methoxydecane (CID 23651751) is 1-ethylsulfanyl-1-methoxydecane.
What is the SMILES notation for 1-ethylsulfanyl-1-methoxydecane?
The canonical SMILES for 1-ethylsulfanyl-1-methoxydecane is CCCCCCCCCC(OC)SCC.
What is the InChIKey of 1-ethylsulfanyl-1-methoxydecane?
The InChIKey is ILWRBXXTZBVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS/c1-4-6-7-8-9-10-11-12-13(14-3)15-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-1-methoxydecane?
1-ethylsulfanyl-1-methoxydecane has a molecular weight of 232.43 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-methoxydecane is sourced from PubChem (CID 23651751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).