2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol

C9H18O3S — CID 122537097

IUPAC2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol
SMILESC=CSCCOCC(C)OCCO
InChIInChI=1S/C9H18O3S/c1-3-13-7-6-11-8-9(2)12-5-4-10/h3,9-10H,1,4-8H2,2H3
InChIKeyUZCHXXAEGQXPPM-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.28
Rot. Bonds9

About 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol

2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol (PubChem CID 122537097) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol
PubChem CID122537097
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol
SMILESC=CSCCOCC(C)OCCO
InChIInChI=1S/C9H18O3S/c1-3-13-7-6-11-8-9(2)12-5-4-10/h3,9-10H,1,4-8H2,2H3
InChIKeyUZCHXXAEGQXPPM-UHFFFAOYSA-N
XLogP1.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.28
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-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
CID 118634410
2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane
CID 157058556
2-(1-hydroperoxypropan-2-yloxy)ethanol
CID 22759520
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596934
2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139597772
2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594995
2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594793
2-[2-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethanol
CID 139597047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol?
The IUPAC name of 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol (CID 122537097) is 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol?
The canonical SMILES for 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol is C=CSCCOCC(C)OCCO.
What is the InChIKey of 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol?
The InChIKey is UZCHXXAEGQXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-3-13-7-6-11-8-9(2)12-5-4-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol?
2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol has a molecular weight of 206.31 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol is sourced from PubChem (CID 122537097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).