1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane

C17H36O4S2 — CID 57018873

IUPAC1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
SMILESCCSCC(COC(C)C)OCOC(COC(C)C)CSCC
InChIInChI=1S/C17H36O4S2/c1-7-22-11-16(9-18-14(3)4)20-13-21-17(12-23-8-2)10-19-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyGRXWNJXUNCNIGH-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.07
Rot. Bonds16

About 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane

1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane (PubChem CID 57018873) has the molecular formula C17H36O4S2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
PubChem CID57018873
Molecular FormulaC17H36O4S2
Molecular Weight368.61 g/mol
Exact Mass368.21
IUPAC Name1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
SMILESCCSCC(COC(C)C)OCOC(COC(C)C)CSCC
InChIInChI=1S/C17H36O4S2/c1-7-22-11-16(9-18-14(3)4)20-13-21-17(12-23-8-2)10-19-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyGRXWNJXUNCNIGH-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[1-[1-[2-[3-(Oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane
CID 22662554
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
1,1,2-Tripropoxy-3-(2,3,3-tripropoxypropyldisulfanyl)propane
CID 89860376
2,3-Di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane
CID 135274462
3-[2-(Ethoxymethoxy)ethylsulfanyl]-1-[3-(2-methylsulfanylpropylsulfanyl)butoxymethoxy]butane
CID 137432084
2-Ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane
CID 141395041
2-Ethyl-2-[1-[3-(2-ethylsulfanylethylsulfanyl)propoxy]propoxy]-4-methyl-1,3-dioxolane
CID 141395063
[4-[Dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-lambda4-sulfanyl]-2,4-dimethylpentan-2-yl]-[3-(ethoxymethoxy)propyl]-dimethyl-lambda4-sulfane
CID 146602768
1-[2,3-Di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane
CID 157282415
1,1,1-Triethoxy-3-(3,3,3-triethoxypropylsulfanyl)propane
CID 172628738

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The IUPAC name of 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane (CID 57018873) is 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane.
What is the SMILES notation for 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The canonical SMILES for 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane is CCSCC(COC(C)C)OCOC(COC(C)C)CSCC.
What is the InChIKey of 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The InChIKey is GRXWNJXUNCNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4S2/c1-7-22-11-16(9-18-14(3)4)20-13-21-17(12-23-8-2)10-19-15(5)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane has a molecular weight of 368.61 g/mol, XLogP of 4.07, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane is sourced from PubChem (CID 57018873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).