2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane

C16H34O9 — CID 23213590

IUPAC2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane
SMILESCOCCOC(COCC(OCCOC)OCCOC)OCCOC
InChIInChI=1S/C16H34O9/c1-17-5-9-22-15(23-10-6-18-2)13-21-14-16(24-11-7-19-3)25-12-8-20-4/h15-16H,5-14H2,1-4H3
InChIKeyQPSCFXLFDGOGAA-UHFFFAOYSA-N
MW370.44 g/mol
LogP0.31
Rot. Bonds20

About 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane

2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane (PubChem CID 23213590) has the molecular formula C16H34O9 and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane
PubChem CID23213590
Molecular FormulaC16H34O9
Molecular Weight370.44 g/mol
Exact Mass370.22
IUPAC Name2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane
SMILESCOCCOC(COCC(OCCOC)OCCOC)OCCOC
InChIInChI=1S/C16H34O9/c1-17-5-9-22-15(23-10-6-18-2)13-21-14-16(24-11-7-19-3)25-12-8-20-4/h15-16H,5-14H2,1-4H3
InChIKeyQPSCFXLFDGOGAA-UHFFFAOYSA-N
XLogP0.31
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane?
The IUPAC name of 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane (CID 23213590) is 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane.
What is the SMILES notation for 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane?
The canonical SMILES for 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane is COCCOC(COCC(OCCOC)OCCOC)OCCOC.
What is the InChIKey of 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane?
The InChIKey is QPSCFXLFDGOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O9/c1-17-5-9-22-15(23-10-6-18-2)13-21-14-16(24-11-7-19-3)25-12-8-20-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane?
2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane has a molecular weight of 370.44 g/mol, XLogP of 0.31, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-methoxyethoxy)ethoxy]-1,1-bis(2-methoxyethoxy)ethane is sourced from PubChem (CID 23213590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).