1-(2-methoxyethoxy)buta-1,3-diene

C7H12O2 — CID 123812918

IUPAC1-(2-methoxyethoxy)buta-1,3-diene
SMILESC=CC=COCCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-9-7-6-8-2/h3-5H,1,6-7H2,2H3
InChIKeyVGXYTUGRMPODQS-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methoxyethoxy)buta-1,3-diene

1-(2-methoxyethoxy)buta-1,3-diene (PubChem CID 123812918) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)buta-1,3-diene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)buta-1,3-diene
PubChem CID123812918
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(2-methoxyethoxy)buta-1,3-diene
SMILESC=CC=COCCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-9-7-6-8-2/h3-5H,1,6-7H2,2H3
InChIKeyVGXYTUGRMPODQS-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethoxy)buta-1,3-diene 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

1-ethenoxy-2-methoxyethane
CID 15457
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
1-(2-methoxyethoxy)but-1-ene
CID 54192618
ethane;(1Z)-1-methoxybuta-1,3-diene
CID 143380385
(E)-2-(2-methoxyethoxy)-N-methylethenamine
CID 157071407
1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
CID 91548753
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
1-methoxybuta-1,3-diene;methylsilane;hydrate
CID 174960455
1-methoxybuta-1,3-diene;3-methoxyprop-1-yne
CID 160966775
1-ethenoxy-3-methoxypropane
CID 22058891

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)buta-1,3-diene?
The IUPAC name of 1-(2-methoxyethoxy)buta-1,3-diene (CID 123812918) is 1-(2-methoxyethoxy)buta-1,3-diene.
What is the SMILES notation for 1-(2-methoxyethoxy)buta-1,3-diene?
The canonical SMILES for 1-(2-methoxyethoxy)buta-1,3-diene is C=CC=COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)buta-1,3-diene?
The InChIKey is VGXYTUGRMPODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-9-7-6-8-2/h3-5H,1,6-7H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)buta-1,3-diene?
1-(2-methoxyethoxy)buta-1,3-diene has a molecular weight of 128.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)buta-1,3-diene is sourced from PubChem (CID 123812918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).