1-(2-ethoxyethylsulfanyl)dodecane

C16H34OS — CID 54085975

IUPAC1-(2-ethoxyethylsulfanyl)dodecane
SMILESCCCCCCCCCCCCSCCOCC
InChIInChI=1S/C16H34OS/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-4-2/h3-16H2,1-2H3
InChIKeyGUPYYJZUEKABTH-UHFFFAOYSA-N
MW274.51 g/mol
LogP5.68
Rot. Bonds15

About 1-(2-ethoxyethylsulfanyl)dodecane

1-(2-ethoxyethylsulfanyl)dodecane (PubChem CID 54085975) has the molecular formula C16H34OS and a molecular weight of 274.51 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfanyl)dodecane.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfanyl)dodecane
PubChem CID54085975
Molecular FormulaC16H34OS
Molecular Weight274.51 g/mol
Exact Mass274.23
IUPAC Name1-(2-ethoxyethylsulfanyl)dodecane
SMILESCCCCCCCCCCCCSCCOCC
InChIInChI=1S/C16H34OS/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-4-2/h3-16H2,1-2H3
InChIKeyGUPYYJZUEKABTH-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethylsulfanyl)dodecane with MolForge

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

Launch Full Analysis

Related Compounds

2-(Octadecylsulfanyl)ethan-1-ol
CID 305444
Ethanol, 2-hexadecylthio-
CID 520033
2-Tetradecylsulfanyl-ethanol
CID 304347
2-Dodecylsulfanyloxane
CID 21951156
(Hexylthio)propyl ether
CID 129773558
1-(2-Butoxyethylsulfanyl)octane
CID 12820000
Ethane;12-(3-ethoxypropylsulfanyl)dodecyl-dimethyl-(3,3,3-trifluoropropyl)-lambda4-sulfane
CID 162744341
Ethane;13-(2-ethoxyethylsulfanyl)tridecyl-dimethyl-(3,3,3-trifluoropropyl)-lambda4-sulfane
CID 162744565
Bis(3-(dodecylthio)propyl)ether
CID 4681747
1-Ethoxy-1-methylsulfanyltridecane
CID 13433558
Eicosane xanthate
CID 129856303
12-(3-Ethoxypropylsulfanyl)dodecyl-dimethyl-(3,3,3-trifluoropropyl)-lambda4-sulfane
CID 162744342

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfanyl)dodecane?
The IUPAC name of 1-(2-ethoxyethylsulfanyl)dodecane (CID 54085975) is 1-(2-ethoxyethylsulfanyl)dodecane.
What is the SMILES notation for 1-(2-ethoxyethylsulfanyl)dodecane?
The canonical SMILES for 1-(2-ethoxyethylsulfanyl)dodecane is CCCCCCCCCCCCSCCOCC.
What is the InChIKey of 1-(2-ethoxyethylsulfanyl)dodecane?
The InChIKey is GUPYYJZUEKABTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OS/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-4-2/h3-16H2,1-2H3.
What are the key properties of 1-(2-ethoxyethylsulfanyl)dodecane?
1-(2-ethoxyethylsulfanyl)dodecane has a molecular weight of 274.51 g/mol, XLogP of 5.68, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfanyl)dodecane is sourced from PubChem (CID 54085975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).