1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane

C14H30OS2 — CID 14249168

IUPAC1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane
SMILESCCCCCSCCOCCSCCCCC
InChIInChI=1S/C14H30OS2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h3-14H2,1-2H3
InChIKeyJOAHJYXPSSRUHX-UHFFFAOYSA-N
MW278.53 g/mol
LogP4.85
Rot. Bonds14

About 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane

1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane (PubChem CID 14249168) has the molecular formula C14H30OS2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane.

Molecular Properties

Compound Name1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane
PubChem CID14249168
Molecular FormulaC14H30OS2
Molecular Weight278.53 g/mol
Exact Mass278.17
IUPAC Name1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane
SMILESCCCCCSCCOCCSCCCCC
InChIInChI=1S/C14H30OS2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h3-14H2,1-2H3
InChIKeyJOAHJYXPSSRUHX-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 54.85
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-pentylsulfanylethoxy)ethylsulfanyl]pentane?
The IUPAC name of 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane (CID 14249168) is 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane.
What is the SMILES notation for 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane?
The canonical SMILES for 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane is CCCCCSCCOCCSCCCCC.
What is the InChIKey of 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane?
The InChIKey is JOAHJYXPSSRUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OS2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane?
1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane has a molecular weight of 278.53 g/mol, XLogP of 4.85, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pentylsulfanylethoxy)ethylsulfanyl]pentane is sourced from PubChem (CID 14249168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).