1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane

C34H70O16 — CID 123158943

IUPAC1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
SMILESCCOCC(COCCOCCOCCOCCOC)(COCCOCCOCCOCCOC)COCCOCCOCCOCCOC
InChIInChI=1S/C34H70O16/c1-5-38-30-34(31-48-27-24-45-21-18-42-15-12-39-9-6-35-2,32-49-28-25-46-22-19-43-16-13-40-10-7-36-3)33-50-29-26-47-23-20-44-17-14-41-11-8-37-4/h5-33H2,1-4H3
InChIKeyJMQKLURASVHWRR-UHFFFAOYSA-N
MW734.92 g/mol
LogP1.15
Rot. Bonds45

About 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane

1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane (PubChem CID 123158943) has the molecular formula C34H70O16 and a molecular weight of 734.92 g/mol. Its IUPAC name is 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane.

Molecular Properties

Compound Name1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
PubChem CID123158943
Molecular FormulaC34H70O16
Molecular Weight734.92 g/mol
Exact Mass734.47
IUPAC Name1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
SMILESCCOCC(COCCOCCOCCOCCOC)(COCCOCCOCCOCCOC)COCCOCCOCCOCCOC
InChIInChI=1S/C34H70O16/c1-5-38-30-34(31-48-27-24-45-21-18-42-15-12-39-9-6-35-2,32-49-28-25-46-22-19-43-16-13-40-10-7-36-3)33-50-29-26-47-23-20-44-17-14-41-11-8-37-4/h5-33H2,1-4H3
InChIKeyJMQKLURASVHWRR-UHFFFAOYSA-N
XLogP1.15
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds45
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
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
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
CID 173303266
CID 173303266

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane?
The IUPAC name of 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) is 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane.
What is the SMILES notation for 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane?
The canonical SMILES for 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane is CCOCC(COCCOCCOCCOCCOC)(COCCOCCOCCOCCOC)COCCOCCOCCOCCOC.
What is the InChIKey of 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane?
The InChIKey is JMQKLURASVHWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O16/c1-5-38-30-34(31-48-27-24-45-21-18-42-15-12-39-9-6-35-2,32-49-28-25-46-22-19-43-16-13-40-10-7-36-3)33-50-29-26-47-23-20-44-17-14-41-11-8-37-4/h5-33H2,1-4H3.
What are the key properties of 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane?
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane has a molecular weight of 734.92 g/mol, XLogP of 1.15, 45 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane is sourced from PubChem (CID 123158943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).