ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate

C11H14O3 — CID 121223435

IUPACethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
SMILESC=C(C)c1cc(C(=O)OCC)c(C)o1
InChIInChI=1S/C11H14O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h6H,2,5H2,1,3-4H3
InChIKeyZRBBPQCSFMHIMK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.80
Rot. Bonds3

About ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate

ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate (PubChem CID 121223435) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
PubChem CID121223435
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
SMILESC=C(C)c1cc(C(=O)OCC)c(C)o1
InChIInChI=1S/C11H14O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h6H,2,5H2,1,3-4H3
InChIKeyZRBBPQCSFMHIMK-UHFFFAOYSA-N
XLogP2.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
CID 12789057
ethyl 2-methyl-5-[(E)-1-phenylhex-1-enyl]furan-3-carboxylate
CID 122232658
ethyl 5-[(Z)-1-ethoxy-1-oxooct-2-en-3-yl]-2-methylfuran-3-carboxylate
CID 177389872
ethyl 5-[(1S)-1-hydroperoxyethyl]-2-methylfuran-3-carboxylate
CID 10943835
ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
CID 133054703
ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
CID 11288010
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2-methyl-5-(3-oxo-4-phenylbutyl)furan-3-carboxylate
CID 102312423
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
benzyl (2S,3S,4R)-3,4-diacetyloxy-2-(4-ethoxycarbonyl-5-methylfuran-2-yl)pyrrolidine-1-carboxylate
CID 101195349

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate (CID 121223435) is ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate is C=C(C)c1cc(C(=O)OCC)c(C)o1.
What is the InChIKey of ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate?
The InChIKey is ZRBBPQCSFMHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h6H,2,5H2,1,3-4H3.
What are the key properties of ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate?
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate is sourced from PubChem (CID 121223435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).