1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane

C57H146O17 — CID 160717226

IUPAC1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCOCC(COCC(COCC(COCCOC)OCC)OCC)OCC.CCOCC(COCC)(COCC)COCCOC.CCOCC(COCCOC)OCC
InChIInChI=1S/C20H42O8.C14H30O5.C10H22O4.13CH4/c1-6-22-12-18(26-7-2)14-24-16-20(28-9-4)17-25-15-19(27-8-3)13-23-11-10-21-5;1-5-16-10-14(11-17-6-2,12-18-7-3)13-19-9-8-15-4;1-4-12-8-10(14-5-2)9-13-7-6-11-3;;;;;;;;;;;;;/h18-20H,6-17H2,1-5H3;5-13H2,1-4H3;10H,4-9H2,1-3H3;13*1H4
InChIKeyRSQBUJBGRJWZMZ-UHFFFAOYSA-N
MW1103.78 g/mol
LogP13.04
Rot. Bonds46

About 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane

1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane (PubChem CID 160717226) has the molecular formula C57H146O17 and a molecular weight of 1103.78 g/mol. Its IUPAC name is 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane.

Molecular Properties

Compound Name1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane
PubChem CID160717226
Molecular FormulaC57H146O17
Molecular Weight1103.78 g/mol
Exact Mass1103.06
IUPAC Name1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCOCC(COCC(COCC(COCCOC)OCC)OCC)OCC.CCOCC(COCC)(COCC)COCCOC.CCOCC(COCCOC)OCC
InChIInChI=1S/C20H42O8.C14H30O5.C10H22O4.13CH4/c1-6-22-12-18(26-7-2)14-24-16-20(28-9-4)17-25-15-19(27-8-3)13-23-11-10-21-5;1-5-16-10-14(11-17-6-2,12-18-7-3)13-19-9-8-15-4;1-4-12-8-10(14-5-2)9-13-7-6-11-3;;;;;;;;;;;;;/h18-20H,6-17H2,1-5H3;5-13H2,1-4H3;10H,4-9H2,1-3H3;13*1H4
InChIKeyRSQBUJBGRJWZMZ-UHFFFAOYSA-N
XLogP13.04
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001103.78
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane with MolForge

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Related Compounds

1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
1,3-bis(2-tritiooxyethoxy)-2-[[3-(2-tritiooxyethoxy)-2,2-bis(2-tritiooxyethoxymethyl)propoxy]methyl]-2-(2-tritiooxyethoxymethyl)propane;1-(2-methoxyethoxy)-2,3-bis(2-tritiooxyethoxy)propane;1-(2-methoxyethoxy)-3-(2-tritiooxyethoxy)-2,2-bis(2-tritiooxyethoxymethyl)propane
CID 158840600
1-ethoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 174187731
1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;bis(1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane)
CID 162104723
1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane
CID 157299168
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-propoxypropoxy]nonane
CID 129013089
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane
CID 165060028
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
CID 104560310

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane?
The IUPAC name of 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane (CID 160717226) is 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane.
What is the SMILES notation for 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane?
The canonical SMILES for 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CCOCC(COCC(COCC(COCCOC)OCC)OCC)OCC.CCOCC(COCC)(COCC)COCCOC.CCOCC(COCCOC)OCC.
What is the InChIKey of 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane?
The InChIKey is RSQBUJBGRJWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O8.C14H30O5.C10H22O4.13CH4/c1-6-22-12-18(26-7-2)14-24-16-20(28-9-4)17-25-15-19(27-8-3)13-23-11-10-21-5;1-5-16-10-14(11-17-6-2,12-18-7-3)13-19-9-8-15-4;1-4-12-8-10(14-5-2)9-13-7-6-11-3;;;;;;;;;;;;;/h18-20H,6-17H2,1-5H3;5-13H2,1-4H3;10H,4-9H2,1-3H3;13*1H4.
What are the key properties of 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane?
1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane has a molecular weight of 1103.78 g/mol, XLogP of 13.04, 46 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane is sourced from PubChem (CID 160717226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).