2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde

C8H16O4 — CID 103178884

IUPAC2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
SMILESCOCCCOCCOCC=O
InChIInChI=1S/C8H16O4/c1-10-4-2-5-11-7-8-12-6-3-9/h3H,2,4-8H2,1H3
InChIKeyMOSUHFWSHHWZIN-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.25
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde

2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde (PubChem CID 103178884) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
PubChem CID103178884
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
SMILESCOCCCOCCOCC=O
InChIInChI=1S/C8H16O4/c1-10-4-2-5-11-7-8-12-6-3-9/h3H,2,4-8H2,1H3
InChIKeyMOSUHFWSHHWZIN-UHFFFAOYSA-N
XLogP0.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.25
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'}

Analyze 2-[2-(3-methoxypropoxy)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-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
CID 103178190
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
CID 118439625
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
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
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde (CID 103178884) is 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde is COCCCOCCOCC=O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde?
The InChIKey is MOSUHFWSHHWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-10-4-2-5-11-7-8-12-6-3-9/h3H,2,4-8H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde?
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde has a molecular weight of 176.21 g/mol, XLogP of 0.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 103178884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).