2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane

C16H32O4S2 — CID 141395063

IUPAC2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane
SMILESCCSCCSCCCOC(CC)OC1(CC)OCC(C)O1
InChIInChI=1S/C16H32O4S2/c1-5-15(17-9-8-10-22-12-11-21-7-3)20-16(6-2)18-13-14(4)19-16/h14-15H,5-13H2,1-4H3
InChIKeyVHCIJWJXTMXTCA-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.13
Rot. Bonds13

About 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane

2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141395063) has the molecular formula C16H32O4S2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane
PubChem CID141395063
Molecular FormulaC16H32O4S2
Molecular Weight352.56 g/mol
Exact Mass352.17
IUPAC Name2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane
SMILESCCSCCSCCCOC(CC)OC1(CC)OCC(C)O1
InChIInChI=1S/C16H32O4S2/c1-5-15(17-9-8-10-22-12-11-21-7-3)20-16(6-2)18-13-14(4)19-16/h14-15H,5-13H2,1-4H3
InChIKeyVHCIJWJXTMXTCA-UHFFFAOYSA-N
XLogP4.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(1'-methylthiomethyl)ethyl-4-oxymeth-yl-1,3-dioxolane
CID 129773577
4-(Ethylsulfanylmethyl)-2-methyl-1,3-dioxolane
CID 12246126
1,1-Dimethoxyethane;1,3-dioxolane;1-methoxy-2-(2-methoxyethoxy)ethane;thiolane
CID 19602185
4-(Methoxymethyl)-2-(2-methylsulfanylethyl)-1,3-dioxolane
CID 20318012
4,5-Dimethyl-2-[2-(methylsulfanyl)ethyl]-1,3-dioxolane
CID 20398669
2-[3-[1-[1-[2-[3-(Oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane
CID 22662554
4,5-Dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
CID 23340016
1-Ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
CID 57018873
1-Ethylsulfanyl-3-[(3-ethylsulfanyl-2-methoxypropoxy)methoxy]-2-methoxypropane
CID 57165440
1-Methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
CID 57254908
1-Ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane
CID 57264764
4,5-Bis(ethylsulfinylmethyl)-1,3-dioxolane
CID 71149111

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141395063) is 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane is CCSCCSCCCOC(CC)OC1(CC)OCC(C)O1.
What is the InChIKey of 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane?
The InChIKey is VHCIJWJXTMXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4S2/c1-5-15(17-9-8-10-22-12-11-21-7-3)20-16(6-2)18-13-14(4)19-16/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane?
2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 352.56 g/mol, XLogP of 4.13, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).