2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol

C18H38O3S — CID 100932601

IUPAC2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCSCCOCCOCCO
InChIInChI=1S/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-16-21-15-14-20-13-12-19/h19H,2-18H2,1H3
InChIKeyWIAJTQHESKMVTP-UHFFFAOYSA-N
MW334.57 g/mol
LogP4.67
Rot. Bonds19

About 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol

2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol (PubChem CID 100932601) has the molecular formula C18H38O3S and a molecular weight of 334.57 g/mol. Its IUPAC name is 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
PubChem CID100932601
Molecular FormulaC18H38O3S
Molecular Weight334.57 g/mol
Exact Mass334.25
IUPAC Name2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCSCCOCCOCCO
InChIInChI=1S/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-16-21-15-14-20-13-12-19/h19H,2-18H2,1H3
InChIKeyWIAJTQHESKMVTP-UHFFFAOYSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
CID 20788584
2-(2-butylsulfanylethoxy)ethanol
CID 3743869
1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
2-(2-propylsulfanylethoxy)ethanol
CID 61074993
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butylsulfanyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123495249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol (CID 100932601) is 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol is CCCCCCCCCCCCSCCOCCOCCO.
What is the InChIKey of 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol?
The InChIKey is WIAJTQHESKMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3S/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-16-21-15-14-20-13-12-19/h19H,2-18H2,1H3.
What are the key properties of 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol?
2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol has a molecular weight of 334.57 g/mol, XLogP of 4.67, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol is sourced from PubChem (CID 100932601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).