6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene

C11H22O2S — CID 151017664

IUPAC6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene
SMILESC=CCCCCSCCOCCOC
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-10-14-11-9-13-8-7-12-2/h3H,1,4-11H2,2H3
InChIKeyLXKTUHUTQOIYOA-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.74
Rot. Bonds11

About 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene

6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene (PubChem CID 151017664) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene
PubChem CID151017664
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene
SMILESC=CCCCCSCCOCCOC
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-10-14-11-9-13-8-7-12-2/h3H,1,4-11H2,2H3
InChIKeyLXKTUHUTQOIYOA-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.74
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

5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
4-(2-Ethoxyethoxy)-2-prop-2-enylthiolane
CID 57193693
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
CID 69235067
4-Ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
5-(2-Methoxyethylsulfanyl)pent-1-ene
CID 127011172
4-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]but-1-ene
CID 149779599
6-(2-Methoxyethylsulfanyl)hex-1-ene
CID 151921947
5-[2-(2-Methoxyethoxy)ethylsulfanyl]pent-1-ene
CID 152014892
5-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]pent-1-ene
CID 152518059
4-[2-(2-Methoxyethoxy)ethylsulfanyl]but-1-ene
CID 152523585
2-(2-Hexoxyethoxymethyl)-2,3-dihydrothiophene
CID 174966901
2-[2-(2-Ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
CID 174966916

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene (CID 151017664) is 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene is C=CCCCCSCCOCCOC.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene?
The InChIKey is LXKTUHUTQOIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-3-4-5-6-10-14-11-9-13-8-7-12-2/h3H,1,4-11H2,2H3.
What are the key properties of 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene?
6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene has a molecular weight of 218.36 g/mol, XLogP of 2.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethylsulfanyl]hex-1-ene is sourced from PubChem (CID 151017664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).