1,2,3-tris(methoxymethoxy)propane

C27H60O18 — CID 54530137

IUPAC1,2,3-tris(methoxymethoxy)propane
SMILESCOCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC
InChIInChI=1S/3C9H20O6/c3*1-10-6-13-4-9(15-8-12-3)5-14-7-11-2/h3*9H,4-8H2,1-3H3
InChIKeyYVXYLTKBIFQFKL-UHFFFAOYSA-N
MW672.76 g/mol
LogP0.65
Rot. Bonds33

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

1,2,3-tris(methoxymethoxy)propane (PubChem CID 54530137) has the molecular formula C27H60O18 and a molecular weight of 672.76 g/mol. Its IUPAC name is 1,2,3-tris(methoxymethoxy)propane.

Molecular Properties

Compound Name1,2,3-tris(methoxymethoxy)propane
PubChem CID54530137
Molecular FormulaC27H60O18
Molecular Weight672.76 g/mol
Exact Mass672.38
IUPAC Name1,2,3-tris(methoxymethoxy)propane
SMILESCOCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC
InChIInChI=1S/3C9H20O6/c3*1-10-6-13-4-9(15-8-12-3)5-14-7-11-2/h3*9H,4-8H2,1-3H3
InChIKeyYVXYLTKBIFQFKL-UHFFFAOYSA-N
XLogP0.65
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.76
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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 1,2,3-tris(methoxymethoxy)propane?
The IUPAC name of 1,2,3-tris(methoxymethoxy)propane (CID 54530137) is 1,2,3-tris(methoxymethoxy)propane.
What is the SMILES notation for 1,2,3-tris(methoxymethoxy)propane?
The canonical SMILES for 1,2,3-tris(methoxymethoxy)propane is COCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC.COCOCC(COCOC)OCOC.
What is the InChIKey of 1,2,3-tris(methoxymethoxy)propane?
The InChIKey is YVXYLTKBIFQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H20O6/c3*1-10-6-13-4-9(15-8-12-3)5-14-7-11-2/h3*9H,4-8H2,1-3H3.
What are the key properties of 1,2,3-tris(methoxymethoxy)propane?
1,2,3-tris(methoxymethoxy)propane has a molecular weight of 672.76 g/mol, XLogP of 0.65, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(methoxymethoxy)propane is sourced from PubChem (CID 54530137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).