methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate

C15H24O5 — CID 54528787

IUPACmethyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate
SMILESCOC(=O)CCCC=CCCC1(OC)C=CC(OC)O1
InChIInChI=1S/C15H24O5/c1-17-13(16)9-7-5-4-6-8-11-15(19-3)12-10-14(18-2)20-15/h4,6,10,12,14H,5,7-9,11H2,1-3H3
InChIKeyYVABCRGBHVGZBD-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.57
Rot. Bonds9

About methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate

methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate (PubChem CID 54528787) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate.

Molecular Properties

Compound Namemethyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate
PubChem CID54528787
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate
SMILESCOC(=O)CCCC=CCCC1(OC)C=CC(OC)O1
InChIInChI=1S/C15H24O5/c1-17-13(16)9-7-5-4-6-8-11-15(19-3)12-10-14(18-2)20-15/h4,6,10,12,14H,5,7-9,11H2,1-3H3
InChIKeyYVABCRGBHVGZBD-UHFFFAOYSA-N
XLogP2.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate 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 methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate?
The IUPAC name of methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate (CID 54528787) is methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate.
What is the SMILES notation for methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate?
The canonical SMILES for methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate is COC(=O)CCCC=CCCC1(OC)C=CC(OC)O1.
What is the InChIKey of methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate?
The InChIKey is YVABCRGBHVGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-17-13(16)9-7-5-4-6-8-11-15(19-3)12-10-14(18-2)20-15/h4,6,10,12,14H,5,7-9,11H2,1-3H3.
What are the key properties of methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate?
methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate has a molecular weight of 284.35 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate is sourced from PubChem (CID 54528787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).