1-ethoxy-1-methylsulfanyltridecane

C16H34OS — CID 13433558

IUPAC1-ethoxy-1-methylsulfanyltridecane
SMILESCCCCCCCCCCCCC(OCC)SC
InChIInChI=1S/C16H34OS/c1-4-6-7-8-9-10-11-12-13-14-15-16(18-3)17-5-2/h16H,4-15H2,1-3H3
InChIKeyZIFUMJOKRXEBJG-UHFFFAOYSA-N
MW274.51 g/mol
LogP6.02
Rot. Bonds14

About 1-ethoxy-1-methylsulfanyltridecane

1-ethoxy-1-methylsulfanyltridecane (PubChem CID 13433558) has the molecular formula C16H34OS and a molecular weight of 274.51 g/mol. Its IUPAC name is 1-ethoxy-1-methylsulfanyltridecane.

Molecular Properties

Compound Name1-ethoxy-1-methylsulfanyltridecane
PubChem CID13433558
Molecular FormulaC16H34OS
Molecular Weight274.51 g/mol
Exact Mass274.23
IUPAC Name1-ethoxy-1-methylsulfanyltridecane
SMILESCCCCCCCCCCCCC(OCC)SC
InChIInChI=1S/C16H34OS/c1-4-6-7-8-9-10-11-12-13-14-15-16(18-3)17-5-2/h16H,4-15H2,1-3H3
InChIKeyZIFUMJOKRXEBJG-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.51
LogP ≤ 56.02
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-ethoxy-1-methylsulfanyltridecane?
The IUPAC name of 1-ethoxy-1-methylsulfanyltridecane (CID 13433558) is 1-ethoxy-1-methylsulfanyltridecane.
What is the SMILES notation for 1-ethoxy-1-methylsulfanyltridecane?
The canonical SMILES for 1-ethoxy-1-methylsulfanyltridecane is CCCCCCCCCCCCC(OCC)SC.
What is the InChIKey of 1-ethoxy-1-methylsulfanyltridecane?
The InChIKey is ZIFUMJOKRXEBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OS/c1-4-6-7-8-9-10-11-12-13-14-15-16(18-3)17-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1-ethoxy-1-methylsulfanyltridecane?
1-ethoxy-1-methylsulfanyltridecane has a molecular weight of 274.51 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylsulfanyltridecane is sourced from PubChem (CID 13433558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).