2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde

C8H14O5 — CID 86256206

IUPAC2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCOCC=O
InChIInChI=1S/C8H14O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-2H,3-8H2
InChIKeyQWCKYSJSASSVOR-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.57
Rot. Bonds10

About 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde

2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde (PubChem CID 86256206) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
PubChem CID86256206
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCOCC=O
InChIInChI=1S/C8H14O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-2H,3-8H2
InChIKeyQWCKYSJSASSVOR-UHFFFAOYSA-N
XLogP-0.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde (CID 86256206) is 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde is O=CCOCCOCCOCC=O.
What is the InChIKey of 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde?
The InChIKey is QWCKYSJSASSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-2H,3-8H2.
What are the key properties of 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde?
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde has a molecular weight of 190.19 g/mol, XLogP of -0.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde is sourced from PubChem (CID 86256206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).