2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde

C8H16O6 — CID 90202042

IUPAC2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCOCC(O)O
InChIInChI=1S/C8H16O6/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1,8,10-11H,2-7H2
InChIKeyXYTQSUSJBVKLCU-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.45
Rot. Bonds10

About 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde

2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde (PubChem CID 90202042) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
PubChem CID90202042
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCOCC(O)O
InChIInChI=1S/C8H16O6/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1,8,10-11H,2-7H2
InChIKeyXYTQSUSJBVKLCU-UHFFFAOYSA-N
XLogP-1.45
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
CID 118439625
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501
2-(2-amino-2-hydroxyethoxy)acetaldehyde
CID 88552808
2-(2-oxoethoxy)ethyl hypobromite
CID 87256554
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
CID 159473270

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde (CID 90202042) is 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde is O=CCOCCOCCOCC(O)O.
What is the InChIKey of 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde?
The InChIKey is XYTQSUSJBVKLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1,8,10-11H,2-7H2.
What are the key properties of 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde?
2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde has a molecular weight of 208.21 g/mol, XLogP of -1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde is sourced from PubChem (CID 90202042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).