ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate

C13H18O3 — CID 67877442

IUPACethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CC=CO2)CCCC1
InChIInChI=1S/C13H18O3/c1-2-15-13(14)11-7-4-3-6-10(11)12-8-5-9-16-12/h5,9,12H,2-4,6-8H2,1H3
InChIKeyLSRJRGQTZLNQHW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.72
Rot. Bonds3

About ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate

ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate (PubChem CID 67877442) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate
PubChem CID67877442
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CC=CO2)CCCC1
InChIInChI=1S/C13H18O3/c1-2-15-13(14)11-7-4-3-6-10(11)12-8-5-9-16-12/h5,9,12H,2-4,6-8H2,1H3
InChIKeyLSRJRGQTZLNQHW-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate (CID 67877442) is ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate is CCOC(=O)C1=C(C2CC=CO2)CCCC1.
What is the InChIKey of ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate?
The InChIKey is LSRJRGQTZLNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-15-13(14)11-7-4-3-6-10(11)12-8-5-9-16-12/h5,9,12H,2-4,6-8H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate?
ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate has a molecular weight of 222.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydrofuran-2-yl)cyclohexene-1-carboxylate is sourced from PubChem (CID 67877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).