2-(2,2-diethoxyethoxy)acetaldehyde

C8H16O4 — CID 15582210

IUPAC2-(2,2-diethoxyethoxy)acetaldehyde
SMILESCCOC(COCC=O)OCC
InChIInChI=1S/C8H16O4/c1-3-11-8(12-4-2)7-10-6-5-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyUOTLRUAJNZVKJV-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.60
Rot. Bonds8

About 2-(2,2-diethoxyethoxy)acetaldehyde

2-(2,2-diethoxyethoxy)acetaldehyde (PubChem CID 15582210) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)acetaldehyde.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)acetaldehyde
PubChem CID15582210
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(2,2-diethoxyethoxy)acetaldehyde
SMILESCCOC(COCC=O)OCC
InChIInChI=1S/C8H16O4/c1-3-11-8(12-4-2)7-10-6-5-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyUOTLRUAJNZVKJV-UHFFFAOYSA-N
XLogP0.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-(2,2-diethoxyethoxy)acetaldehyde?
The IUPAC name of 2-(2,2-diethoxyethoxy)acetaldehyde (CID 15582210) is 2-(2,2-diethoxyethoxy)acetaldehyde.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)acetaldehyde?
The canonical SMILES for 2-(2,2-diethoxyethoxy)acetaldehyde is CCOC(COCC=O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)acetaldehyde?
The InChIKey is UOTLRUAJNZVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-11-8(12-4-2)7-10-6-5-9/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethoxy)acetaldehyde?
2-(2,2-diethoxyethoxy)acetaldehyde has a molecular weight of 176.21 g/mol, XLogP of 0.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)acetaldehyde is sourced from PubChem (CID 15582210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).