2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane

C13H24OS — CID 70455939

IUPAC2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane
SMILESCC=CCC(CCSC)CC1CCCO1
InChIInChI=1S/C13H24OS/c1-3-4-6-12(8-10-15-2)11-13-7-5-9-14-13/h3-4,12-13H,5-11H2,1-2H3
InChIKeyIGCHNHKEXZVZEX-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.89
Rot. Bonds7

About 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane

2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane (PubChem CID 70455939) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane
PubChem CID70455939
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane
SMILESCC=CCC(CCSC)CC1CCCO1
InChIInChI=1S/C13H24OS/c1-3-4-6-12(8-10-15-2)11-13-7-5-9-14-13/h3-4,12-13H,5-11H2,1-2H3
InChIKeyIGCHNHKEXZVZEX-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane?
The IUPAC name of 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane (CID 70455939) is 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane.
What is the SMILES notation for 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane?
The canonical SMILES for 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane is CC=CCC(CCSC)CC1CCCO1.
What is the InChIKey of 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane?
The InChIKey is IGCHNHKEXZVZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-3-4-6-12(8-10-15-2)11-13-7-5-9-14-13/h3-4,12-13H,5-11H2,1-2H3.
What are the key properties of 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane?
2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane has a molecular weight of 228.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfanylethyl)hex-4-enyl]oxolane is sourced from PubChem (CID 70455939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).