2-(2-ethoxyethoxy)propanal

C7H14O3 — CID 14380272

IUPAC2-(2-ethoxyethoxy)propanal
SMILESCCOCCOC(C)C=O
InChIInChI=1S/C7H14O3/c1-3-9-4-5-10-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKeyPVAPJCBNEFIWIT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-ethoxyethoxy)propanal

2-(2-ethoxyethoxy)propanal (PubChem CID 14380272) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)propanal.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)propanal
PubChem CID14380272
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2-ethoxyethoxy)propanal
SMILESCCOCCOC(C)C=O
InChIInChI=1S/C7H14O3/c1-3-9-4-5-10-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKeyPVAPJCBNEFIWIT-UHFFFAOYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)propanal?
The IUPAC name of 2-(2-ethoxyethoxy)propanal (CID 14380272) is 2-(2-ethoxyethoxy)propanal.
What is the SMILES notation for 2-(2-ethoxyethoxy)propanal?
The canonical SMILES for 2-(2-ethoxyethoxy)propanal is CCOCCOC(C)C=O.
What is the InChIKey of 2-(2-ethoxyethoxy)propanal?
The InChIKey is PVAPJCBNEFIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-9-4-5-10-7(2)6-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)propanal?
2-(2-ethoxyethoxy)propanal has a molecular weight of 146.19 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)propanal is sourced from PubChem (CID 14380272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).