carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate

C15H22O7 — CID 157337485

IUPACcarbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1.O=C=O
InChIInChI=1S/C14H22O5.CO2/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2;2-1-3/h15H,4-9H2,1-3H3;
InChIKeyBFZUCRSMJJTTOY-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.92
Rot. Bonds5

About carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate

carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate (PubChem CID 157337485) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namecarbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
PubChem CID157337485
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Namecarbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1.O=C=O
InChIInChI=1S/C14H22O5.CO2/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2;2-1-3/h15H,4-9H2,1-3H3;
InChIKeyBFZUCRSMJJTTOY-UHFFFAOYSA-N
XLogP1.92
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The IUPAC name of carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate (CID 157337485) is carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate.
What is the SMILES notation for carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The canonical SMILES for carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate is CCOC(=O)C1=C(O)CCC(CC)(C(=O)OCC)C1.O=C=O.
What is the InChIKey of carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
The InChIKey is BFZUCRSMJJTTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5.CO2/c1-4-14(13(17)19-6-3)8-7-11(15)10(9-14)12(16)18-5-2;2-1-3/h15H,4-9H2,1-3H3;.
What are the key properties of carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate?
carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate has a molecular weight of 314.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;diethyl 1-ethyl-4-hydroxycyclohex-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 157337485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).