[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate

C11H12O5 — CID 167287883

IUPAC[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(COC(C)=O)co1
InChIInChI=1S/C11H12O5/c1-3-11(13)16-7-10-4-9(6-15-10)5-14-8(2)12/h3-4,6H,1,5,7H2,2H3
InChIKeyRVLYKELUAJLLBT-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.57
Rot. Bonds5

About [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate

[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate (PubChem CID 167287883) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate
PubChem CID167287883
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(COC(C)=O)co1
InChIInChI=1S/C11H12O5/c1-3-11(13)16-7-10-4-9(6-15-10)5-14-8(2)12/h3-4,6H,1,5,7H2,2H3
InChIKeyRVLYKELUAJLLBT-UHFFFAOYSA-N
XLogP1.57
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-acetylfuran-3-yl)methyl acetate
CID 18367906
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
(5-phenylfuran-3-yl)methyl acetate
CID 102069071
2-benzofuran-5-ylmethyl prop-2-enoate
CID 174509033
[3-[(trimethyl-λ4-sulfanyl)methyl]phenyl]methyl prop-2-enoate
CID 138480975
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
[4-[2-[methyl(trimethylsilyloxy)silyl]ethyl]phenyl]methyl prop-2-enoate
CID 173310321
[3-[3-(1-hydroxyprop-2-enoxymethyl)-5-(prop-2-enoyloxymethyl)phenyl]-5-(prop-2-enoyloxymethyl)phenyl]methyl prop-2-enoate
CID 130280727
benzyl prop-2-enoate;ethyl(trimethoxy)silane
CID 174910420
CID 159481428
CID 159481428
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
CID 174980361

Frequently Asked Questions

What is the IUPAC name of [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate?
The IUPAC name of [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate (CID 167287883) is [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate.
What is the SMILES notation for [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate?
The canonical SMILES for [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate is C=CC(=O)OCc1cc(COC(C)=O)co1.
What is the InChIKey of [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate?
The InChIKey is RVLYKELUAJLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-3-11(13)16-7-10-4-9(6-15-10)5-14-8(2)12/h3-4,6H,1,5,7H2,2H3.
What are the key properties of [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate?
[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate has a molecular weight of 224.21 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate is sourced from PubChem (CID 167287883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).