2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane

C11H22OS2 — CID 23266498

IUPAC2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane
SMILESC=CCSCCSCCOCC(C)C
InChIInChI=1S/C11H22OS2/c1-4-6-13-8-9-14-7-5-12-10-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyHFGQRBVPGDMMOR-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.31
Rot. Bonds10

About 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane

2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane (PubChem CID 23266498) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane
PubChem CID23266498
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane
SMILESC=CCSCCSCCOCC(C)C
InChIInChI=1S/C11H22OS2/c1-4-6-13-8-9-14-7-5-12-10-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyHFGQRBVPGDMMOR-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane?
The IUPAC name of 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane (CID 23266498) is 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane.
What is the SMILES notation for 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane?
The canonical SMILES for 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane is C=CCSCCSCCOCC(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane?
The InChIKey is HFGQRBVPGDMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-4-6-13-8-9-14-7-5-12-10-11(2)3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane?
2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane has a molecular weight of 234.43 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-prop-2-enylsulfanylethylsulfanyl)ethoxy]propane is sourced from PubChem (CID 23266498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).