1,2,3-tris(2-methoxyethoxy)propane

C12H26O6 — CID 22886703

IUPAC1,2,3-tris(2-methoxyethoxy)propane
SMILESCOCCOCC(COCCOC)OCCOC
InChIInChI=1S/C12H26O6/c1-13-4-7-16-10-12(18-9-6-15-3)11-17-8-5-14-2/h12H,4-11H2,1-3H3
InChIKeyYGGHNMYTNZNMQF-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.34
Rot. Bonds14

About 1,2,3-tris(2-methoxyethoxy)propane

1,2,3-tris(2-methoxyethoxy)propane (PubChem CID 22886703) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,2,3-tris(2-methoxyethoxy)propane.

Molecular Properties

Compound Name1,2,3-tris(2-methoxyethoxy)propane
PubChem CID22886703
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name1,2,3-tris(2-methoxyethoxy)propane
SMILESCOCCOCC(COCCOC)OCCOC
InChIInChI=1S/C12H26O6/c1-13-4-7-16-10-12(18-9-6-15-3)11-17-8-5-14-2/h12H,4-11H2,1-3H3
InChIKeyYGGHNMYTNZNMQF-UHFFFAOYSA-N
XLogP0.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,2,3-tris(2-methoxyethoxy)propane?
The IUPAC name of 1,2,3-tris(2-methoxyethoxy)propane (CID 22886703) is 1,2,3-tris(2-methoxyethoxy)propane.
What is the SMILES notation for 1,2,3-tris(2-methoxyethoxy)propane?
The canonical SMILES for 1,2,3-tris(2-methoxyethoxy)propane is COCCOCC(COCCOC)OCCOC.
What is the InChIKey of 1,2,3-tris(2-methoxyethoxy)propane?
The InChIKey is YGGHNMYTNZNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-13-4-7-16-10-12(18-9-6-15-3)11-17-8-5-14-2/h12H,4-11H2,1-3H3.
What are the key properties of 1,2,3-tris(2-methoxyethoxy)propane?
1,2,3-tris(2-methoxyethoxy)propane has a molecular weight of 266.33 g/mol, XLogP of 0.34, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(2-methoxyethoxy)propane is sourced from PubChem (CID 22886703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).