5-(2-methoxyethoxy)penta-2,3-dienal

C8H12O3 — CID 175057946

IUPAC5-(2-methoxyethoxy)penta-2,3-dienal
SMILESCOCCOCC=C=CC=O
InChIInChI=1S/C8H12O3/c1-10-7-8-11-6-4-2-3-5-9/h3-5H,6-8H2,1H3
InChIKeyCXNOOUHALLDEIJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.56
Rot. Bonds6

About 5-(2-methoxyethoxy)penta-2,3-dienal

5-(2-methoxyethoxy)penta-2,3-dienal (PubChem CID 175057946) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)penta-2,3-dienal.

Molecular Properties

Compound Name5-(2-methoxyethoxy)penta-2,3-dienal
PubChem CID175057946
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-(2-methoxyethoxy)penta-2,3-dienal
SMILESCOCCOCC=C=CC=O
InChIInChI=1S/C8H12O3/c1-10-7-8-11-6-4-2-3-5-9/h3-5H,6-8H2,1H3
InChIKeyCXNOOUHALLDEIJ-UHFFFAOYSA-N
XLogP0.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.56
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethoxy)penta-2,3-dienal 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
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 172826348
CID 172826348
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)penta-2,3-dienal?
The IUPAC name of 5-(2-methoxyethoxy)penta-2,3-dienal (CID 175057946) is 5-(2-methoxyethoxy)penta-2,3-dienal.
What is the SMILES notation for 5-(2-methoxyethoxy)penta-2,3-dienal?
The canonical SMILES for 5-(2-methoxyethoxy)penta-2,3-dienal is COCCOCC=C=CC=O.
What is the InChIKey of 5-(2-methoxyethoxy)penta-2,3-dienal?
The InChIKey is CXNOOUHALLDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-7-8-11-6-4-2-3-5-9/h3-5H,6-8H2,1H3.
What are the key properties of 5-(2-methoxyethoxy)penta-2,3-dienal?
5-(2-methoxyethoxy)penta-2,3-dienal has a molecular weight of 156.18 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)penta-2,3-dienal is sourced from PubChem (CID 175057946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).