diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate

C14H22O5 — CID 71100162

IUPACdiethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1
InChIInChI=1S/C14H22O5/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2/h15H,4-9H2,1-3H3
InChIKeyLRGDWKJYKORGLX-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.51
Rot. Bonds5

About diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate

diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate (PubChem CID 71100162) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
PubChem CID71100162
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namediethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1
InChIInChI=1S/C14H22O5/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2/h15H,4-9H2,1-3H3
InChIKeyLRGDWKJYKORGLX-UHFFFAOYSA-N
XLogP2.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The IUPAC name of diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate (CID 71100162) is diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The canonical SMILES for diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate is CCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1.
What is the InChIKey of diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The InChIKey is LRGDWKJYKORGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2/h15H,4-9H2,1-3H3.
What are the key properties of diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate has a molecular weight of 270.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 71100162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).