ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate

C11H12O4 — CID 11298725

IUPACethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
SMILESC#CCOCc1occc1C(=O)OCC
InChIInChI=1S/C11H12O4/c1-3-6-13-8-10-9(5-7-15-10)11(12)14-4-2/h1,5,7H,4,6,8H2,2H3
InChIKeyFQJPJZOAFFILDV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.61
Rot. Bonds5

About ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate

ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate (PubChem CID 11298725) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
PubChem CID11298725
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
SMILESC#CCOCc1occc1C(=O)OCC
InChIInChI=1S/C11H12O4/c1-3-6-13-8-10-9(5-7-15-10)11(12)14-4-2/h1,5,7H,4,6,8H2,2H3
InChIKeyFQJPJZOAFFILDV-UHFFFAOYSA-N
XLogP1.61
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393
prop-2-ynyl 2-chlorofuran-3-carboxylate
CID 130727677
ethyl 3-carbamoylfuran-2-carboxylate
CID 24973056
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid
CID 43244832
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
CID 39903274
ethyl 2-nitrofuran-3-carboxylate
CID 133055845
(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529329
ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate?
The IUPAC name of ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate (CID 11298725) is ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate is C#CCOCc1occc1C(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate?
The InChIKey is FQJPJZOAFFILDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-3-6-13-8-10-9(5-7-15-10)11(12)14-4-2/h1,5,7H,4,6,8H2,2H3.
What are the key properties of ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate?
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate has a molecular weight of 208.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate is sourced from PubChem (CID 11298725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).