1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane

C24H50OS2 — CID 19420252

IUPAC1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane
SMILESCCCCCCCCCCSCCOCCSCCCCCCCCCC
InChIInChI=1S/C24H50OS2/c1-3-5-7-9-11-13-15-17-21-26-23-19-25-20-24-27-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyJTELIBLMWYBXED-UHFFFAOYSA-N
MW418.80 g/mol
LogP8.75
Rot. Bonds24

About 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane

1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane (PubChem CID 19420252) has the molecular formula C24H50OS2 and a molecular weight of 418.80 g/mol. Its IUPAC name is 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane.

Molecular Properties

Compound Name1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane
PubChem CID19420252
Molecular FormulaC24H50OS2
Molecular Weight418.80 g/mol
Exact Mass418.33
IUPAC Name1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane
SMILESCCCCCCCCCCSCCOCCSCCCCCCCCCC
InChIInChI=1S/C24H50OS2/c1-3-5-7-9-11-13-15-17-21-26-23-19-25-20-24-27-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyJTELIBLMWYBXED-UHFFFAOYSA-N
XLogP8.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 58.75
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 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane?
The IUPAC name of 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane (CID 19420252) is 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane.
What is the SMILES notation for 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane?
The canonical SMILES for 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane is CCCCCCCCCCSCCOCCSCCCCCCCCCC.
What is the InChIKey of 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane?
The InChIKey is JTELIBLMWYBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50OS2/c1-3-5-7-9-11-13-15-17-21-26-23-19-25-20-24-27-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane?
1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane has a molecular weight of 418.80 g/mol, XLogP of 8.75, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-decylsulfanylethoxy)ethylsulfanyl]decane is sourced from PubChem (CID 19420252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).