ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate

C10H14O3 — CID 142713069

IUPACethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate
SMILESC=CC1=CCOC1(C)C(=O)OCC
InChIInChI=1S/C10H14O3/c1-4-8-6-7-13-10(8,3)9(11)12-5-2/h4,6H,1,5,7H2,2-3H3
InChIKeyQNHXDZBLYNZYGE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds3

About ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate

ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate (PubChem CID 142713069) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate
PubChem CID142713069
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate
SMILESC=CC1=CCOC1(C)C(=O)OCC
InChIInChI=1S/C10H14O3/c1-4-8-6-7-13-10(8,3)9(11)12-5-2/h4,6H,1,5,7H2,2-3H3
InChIKeyQNHXDZBLYNZYGE-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S,5S)-5-tert-butyl-3,5-dimethyl-2H-furan-2-carboxylate
CID 101083205
methyl 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920697
ethyl 3,3-difluoro-2-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 86690124
ethyl 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-(trifluoromethyl)pent-4-enoate
CID 169137435
Methyl 4-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488876
methyl (2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-carboxylate
CID 102376970
Ethyl 5-methylidene-2-prop-2-enylfuran-2-carboxylate
CID 102600250
methyl (6S)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323297
methyl (6R)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323298
5-ethyl-2H-furan-5-carboxylic acid
CID 12200719
5-prop-2-enyl-2H-furan-5-carboxylic acid
CID 12200721
Qcfbtxzvsarlom-uhfffaoysa-
CID 10487723

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate?
The IUPAC name of ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate (CID 142713069) is ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate.
What is the SMILES notation for ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate?
The canonical SMILES for ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate is C=CC1=CCOC1(C)C(=O)OCC.
What is the InChIKey of ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate?
The InChIKey is QNHXDZBLYNZYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-6-7-13-10(8,3)9(11)12-5-2/h4,6H,1,5,7H2,2-3H3.
What are the key properties of ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate?
ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-5-methyl-2H-furan-5-carboxylate is sourced from PubChem (CID 142713069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).