4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene

C9H18O2S — CID 152523585

IUPAC4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
SMILESC=CCCSCCOCCOC
InChIInChI=1S/C9H18O2S/c1-3-4-8-12-9-7-11-6-5-10-2/h3H,1,4-9H2,2H3
InChIKeyYIAYWUOXQJFGLP-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.96
Rot. Bonds9

About 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene

4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene (PubChem CID 152523585) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
PubChem CID152523585
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
SMILESC=CCCSCCOCCOC
InChIInChI=1S/C9H18O2S/c1-3-4-8-12-9-7-11-6-5-10-2/h3H,1,4-9H2,2H3
InChIKeyYIAYWUOXQJFGLP-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene
CID 4997850
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
CID 169283665
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
CID 87934278
dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
CID 58816829

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene (CID 152523585) is 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene is C=CCCSCCOCCOC.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene?
The InChIKey is YIAYWUOXQJFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-3-4-8-12-9-7-11-6-5-10-2/h3H,1,4-9H2,2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene?
4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene has a molecular weight of 190.31 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene is sourced from PubChem (CID 152523585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).