1-(1-ethoxyethoxy)propane

C7H16O2 — CID 30220

IUPAC1-(1-ethoxyethoxy)propane
SMILESCCCOC(C)OCC
InChIInChI=1S/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3
InChIKeyXKPTXCDASJWOLK-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.80
Rot. Bonds5

About 1-(1-ethoxyethoxy)propane

1-(1-ethoxyethoxy)propane (PubChem CID 30220) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)propane.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)propane
PubChem CID30220
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-(1-ethoxyethoxy)propane
SMILESCCCOC(C)OCC
InChIInChI=1S/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3
InChIKeyXKPTXCDASJWOLK-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-ethoxyethoxy)propane?
The IUPAC name of 1-(1-ethoxyethoxy)propane (CID 30220) is 1-(1-ethoxyethoxy)propane.
What is the SMILES notation for 1-(1-ethoxyethoxy)propane?
The canonical SMILES for 1-(1-ethoxyethoxy)propane is CCCOC(C)OCC.
What is the InChIKey of 1-(1-ethoxyethoxy)propane?
The InChIKey is XKPTXCDASJWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethoxyethoxy)propane?
1-(1-ethoxyethoxy)propane has a molecular weight of 132.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)propane is sourced from PubChem (CID 30220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).