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

C20H42O10 — CID 20606381

IUPAC2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane
SMILESCOCCOCC(COCCOC)OCCOC(COCCOC)COCCOC
InChIInChI=1S/C20H42O10/c1-21-5-9-25-15-19(16-26-10-6-22-2)29-13-14-30-20(17-27-11-7-23-3)18-28-12-8-24-4/h19-20H,5-18H2,1-4H3
InChIKeyHNKLFVDAYQOYCL-UHFFFAOYSA-N
MW442.55 g/mol
LogP0.41
Rot. Bonds25

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

2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane (PubChem CID 20606381) has the molecular formula C20H42O10 and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane.

Molecular Properties

Compound Name2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane
PubChem CID20606381
Molecular FormulaC20H42O10
Molecular Weight442.55 g/mol
Exact Mass442.28
IUPAC Name2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane
SMILESCOCCOCC(COCCOC)OCCOC(COCCOC)COCCOC
InChIInChI=1S/C20H42O10/c1-21-5-9-25-15-19(16-26-10-6-22-2)29-13-14-30-20(17-27-11-7-23-3)18-28-12-8-24-4/h19-20H,5-18H2,1-4H3
InChIKeyHNKLFVDAYQOYCL-UHFFFAOYSA-N
XLogP0.41
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane?
The IUPAC name of 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane (CID 20606381) is 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane.
What is the SMILES notation for 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane?
The canonical SMILES for 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane is COCCOCC(COCCOC)OCCOC(COCCOC)COCCOC.
What is the InChIKey of 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane?
The InChIKey is HNKLFVDAYQOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O10/c1-21-5-9-25-15-19(16-26-10-6-22-2)29-13-14-30-20(17-27-11-7-23-3)18-28-12-8-24-4/h19-20H,5-18H2,1-4H3.
What are the key properties of 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane?
2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane has a molecular weight of 442.55 g/mol, XLogP of 0.41, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]ethoxy]-1,3-bis(2-methoxyethoxy)propane is sourced from PubChem (CID 20606381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).