2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan

C15H16O3 — CID 130271189

IUPAC2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan
SMILESC=C/C=C(\OC)c1ccc(/C(=C/C=C)OC=C)o1
InChIInChI=1S/C15H16O3/c1-5-8-12(16-4)14-10-11-15(18-14)13(9-6-2)17-7-3/h5-11H,1-3H2,4H3/b12-8-,13-9-
InChIKeyTTYRFZGKMFSAEK-JMVBYTIWSA-N
MW244.29 g/mol
LogP4.14
Rot. Bonds7

About 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan

2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan (PubChem CID 130271189) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan.

Molecular Properties

Compound Name2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan
PubChem CID130271189
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan
SMILESC=C/C=C(\OC)c1ccc(/C(=C/C=C)OC=C)o1
InChIInChI=1S/C15H16O3/c1-5-8-12(16-4)14-10-11-15(18-14)13(9-6-2)17-7-3/h5-11H,1-3H2,4H3/b12-8-,13-9-
InChIKeyTTYRFZGKMFSAEK-JMVBYTIWSA-N
XLogP4.14
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan?
The IUPAC name of 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan (CID 130271189) is 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan.
What is the SMILES notation for 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan?
The canonical SMILES for 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan is C=C/C=C(\OC)c1ccc(/C(=C/C=C)OC=C)o1.
What is the InChIKey of 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan?
The InChIKey is TTYRFZGKMFSAEK-JMVBYTIWSA-N. The full InChI is InChI=1S/C15H16O3/c1-5-8-12(16-4)14-10-11-15(18-14)13(9-6-2)17-7-3/h5-11H,1-3H2,4H3/b12-8-,13-9-.
What are the key properties of 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan?
2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan has a molecular weight of 244.29 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1-ethenoxybuta-1,3-dienyl]-5-[(1Z)-1-methoxybuta-1,3-dienyl]furan is sourced from PubChem (CID 130271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).