1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate

C11H12O4 — CID 67891886

IUPAC1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C)c1ccc(CO)o1
InChIInChI=1S/C11H12O4/c1-7(2)11(13)14-8(3)10-5-4-9(6-12)15-10/h4-5,12H,1,3,6H2,2H3
InChIKeyWOYXWPGCPXOSMC-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.86
Rot. Bonds4

About 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate

1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate (PubChem CID 67891886) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate
PubChem CID67891886
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C)c1ccc(CO)o1
InChIInChI=1S/C11H12O4/c1-7(2)11(13)14-8(3)10-5-4-9(6-12)15-10/h4-5,12H,1,3,6H2,2H3
InChIKeyWOYXWPGCPXOSMC-UHFFFAOYSA-N
XLogP1.86
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-prop-1-en-2-ylfuran-2-yl)methanol
CID 119081817
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
CID 91750740
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[5-(4-methylpent-1-en-2-yl)furan-2-yl]methanol
CID 169243429
2,3-dihydroxy-1-[5-(hydroxymethyl)furan-2-yl]butan-1-one
CID 123406498
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
1-O-ethyl 3-O-[3-[5-(hydroxymethyl)furan-2-yl]-3-oxopropyl] propanedioate
CID 146563740
5-(acetyloxymethyl)furan-2-carboxylic acid;N,N-diethylethanamine;5-(hydroxymethyl)furan-2-carboxylic acid
CID 158449664
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 57249723
[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
CID 115879804
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate?
The IUPAC name of 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate (CID 67891886) is 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=C)c1ccc(CO)o1.
What is the InChIKey of 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate?
The InChIKey is WOYXWPGCPXOSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(2)11(13)14-8(3)10-5-4-9(6-12)15-10/h4-5,12H,1,3,6H2,2H3.
What are the key properties of 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate?
1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 67891886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).