1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane

C14H30O2S2 — CID 86059733

IUPAC1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane
SMILESCCCCSCCOCCOCCSCCCC
InChIInChI=1S/C14H30O2S2/c1-3-5-11-17-13-9-15-7-8-16-10-14-18-12-6-4-2/h3-14H2,1-2H3
InChIKeyRSMTVVSKROAUDB-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.09
Rot. Bonds15

About 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane

1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane (PubChem CID 86059733) has the molecular formula C14H30O2S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane.

Molecular Properties

Compound Name1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane
PubChem CID86059733
Molecular FormulaC14H30O2S2
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Name1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane
SMILESCCCCSCCOCCOCCSCCCC
InChIInChI=1S/C14H30O2S2/c1-3-5-11-17-13-9-15-7-8-16-10-14-18-12-6-4-2/h3-14H2,1-2H3
InChIKeyRSMTVVSKROAUDB-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane?
The IUPAC name of 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane (CID 86059733) is 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane.
What is the SMILES notation for 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane?
The canonical SMILES for 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane is CCCCSCCOCCOCCSCCCC.
What is the InChIKey of 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane?
The InChIKey is RSMTVVSKROAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S2/c1-3-5-11-17-13-9-15-7-8-16-10-14-18-12-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane?
1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane has a molecular weight of 294.53 g/mol, XLogP of 4.09, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane is sourced from PubChem (CID 86059733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).