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

C15H32O6 — CID 5362567

IUPAC1,2,3-tris(1-ethoxyethoxy)propane
SMILESCCOC(C)OCC(COC(C)OCC)OC(C)OCC
InChIInChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3
InChIKeyNSVOKCWMHBVBIU-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.55
Rot. Bonds14

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

1,2,3-tris(1-ethoxyethoxy)propane (PubChem CID 5362567) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,2,3-tris(1-ethoxyethoxy)propane.

Molecular Properties

Compound Name1,2,3-tris(1-ethoxyethoxy)propane
PubChem CID5362567
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name1,2,3-tris(1-ethoxyethoxy)propane
SMILESCCOC(C)OCC(COC(C)OCC)OC(C)OCC
InChIInChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3
InChIKeyNSVOKCWMHBVBIU-UHFFFAOYSA-N
XLogP2.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,2,3-tris(1-ethoxyethoxy)propane?
The IUPAC name of 1,2,3-tris(1-ethoxyethoxy)propane (CID 5362567) is 1,2,3-tris(1-ethoxyethoxy)propane.
What is the SMILES notation for 1,2,3-tris(1-ethoxyethoxy)propane?
The canonical SMILES for 1,2,3-tris(1-ethoxyethoxy)propane is CCOC(C)OCC(COC(C)OCC)OC(C)OCC.
What is the InChIKey of 1,2,3-tris(1-ethoxyethoxy)propane?
The InChIKey is NSVOKCWMHBVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3.
What are the key properties of 1,2,3-tris(1-ethoxyethoxy)propane?
1,2,3-tris(1-ethoxyethoxy)propane has a molecular weight of 308.42 g/mol, XLogP of 2.55, 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(1-ethoxyethoxy)propane is sourced from PubChem (CID 5362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).