1-(tripropoxymethoxy)propane

C13H28O4 — CID 548455

IUPAC1-(tripropoxymethoxy)propane
SMILESCCCOC(OCCC)(OCCC)OCCC
InChIInChI=1S/C13H28O4/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4/h5-12H2,1-4H3
InChIKeyLFMXSZSVDQJYDU-UHFFFAOYSA-N
MW248.36 g/mol
LogP3.30
Rot. Bonds12

About 1-(tripropoxymethoxy)propane

1-(tripropoxymethoxy)propane (PubChem CID 548455) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(tripropoxymethoxy)propane.

Molecular Properties

Compound Name1-(tripropoxymethoxy)propane
PubChem CID548455
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(tripropoxymethoxy)propane
SMILESCCCOC(OCCC)(OCCC)OCCC
InChIInChI=1S/C13H28O4/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4/h5-12H2,1-4H3
InChIKeyLFMXSZSVDQJYDU-UHFFFAOYSA-N
XLogP3.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(tripropoxymethoxy)propane?
The IUPAC name of 1-(tripropoxymethoxy)propane (CID 548455) is 1-(tripropoxymethoxy)propane.
What is the SMILES notation for 1-(tripropoxymethoxy)propane?
The canonical SMILES for 1-(tripropoxymethoxy)propane is CCCOC(OCCC)(OCCC)OCCC.
What is the InChIKey of 1-(tripropoxymethoxy)propane?
The InChIKey is LFMXSZSVDQJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4/h5-12H2,1-4H3.
What are the key properties of 1-(tripropoxymethoxy)propane?
1-(tripropoxymethoxy)propane has a molecular weight of 248.36 g/mol, XLogP of 3.30, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tripropoxymethoxy)propane is sourced from PubChem (CID 548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).