3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal

C15H30O7 — CID 123354844

IUPAC3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
SMILESCOCCOCC(COCCOC)COCCOCCC=O
InChIInChI=1S/C15H30O7/c1-17-6-8-20-12-15(13-21-9-7-18-2)14-22-11-10-19-5-3-4-16/h4,15H,3,5-14H2,1-2H3
InChIKeyDQBIMTGNWNTTMA-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.55
Rot. Bonds18

About 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal

3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal (PubChem CID 123354844) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
PubChem CID123354844
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Name3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
SMILESCOCCOCC(COCCOC)COCCOCCC=O
InChIInChI=1S/C15H30O7/c1-17-6-8-20-12-15(13-21-9-7-18-2)14-22-11-10-19-5-3-4-16/h4,15H,3,5-14H2,1-2H3
InChIKeyDQBIMTGNWNTTMA-UHFFFAOYSA-N
XLogP0.55
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
3-methoxypropanal;titanium
CID 87154259
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
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
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal?
The IUPAC name of 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal (CID 123354844) is 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal.
What is the SMILES notation for 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal?
The canonical SMILES for 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal is COCCOCC(COCCOC)COCCOCCC=O.
What is the InChIKey of 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal?
The InChIKey is DQBIMTGNWNTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7/c1-17-6-8-20-12-15(13-21-9-7-18-2)14-22-11-10-19-5-3-4-16/h4,15H,3,5-14H2,1-2H3.
What are the key properties of 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal?
3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal has a molecular weight of 322.40 g/mol, XLogP of 0.55, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal is sourced from PubChem (CID 123354844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).