ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate

C13H20O3 — CID 91473500

IUPACethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
SMILESCC.CCC=C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C11H14O3.C2H6/c1-4-5-8(2)9-6-7-10(14-9)11(12)13-3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyALKHFPSLFSKUIS-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.91
Rot. Bonds3

About ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate

ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate (PubChem CID 91473500) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
PubChem CID91473500
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
SMILESCC.CCC=C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C11H14O3.C2H6/c1-4-5-8(2)9-6-7-10(14-9)11(12)13-3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyALKHFPSLFSKUIS-UHFFFAOYSA-N
XLogP3.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate 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

methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
CID 163195882
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342
methyl 5-ethylsulfinylfuran-2-carboxylate
CID 163367683
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 5-(2-methyl-3-oxoprop-1-enyl)furan-2-carboxylate
CID 79331405
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556
methyl 5-(4-chlorobutanoyl)furan-2-carboxylate
CID 20509854
methyl 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]furan-2-carboxylate
CID 106946577

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate?
The IUPAC name of ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate (CID 91473500) is ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate?
The canonical SMILES for ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate is CC.CCC=C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate?
The InChIKey is ALKHFPSLFSKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C2H6/c1-4-5-8(2)9-6-7-10(14-9)11(12)13-3;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate?
ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate is sourced from PubChem (CID 91473500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).