ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate

C11H16O4 — CID 154155166

IUPACethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1C(O)=C(C)C=C(C)C1O
InChIInChI=1S/C11H16O4/c1-4-15-11(14)8-9(12)6(2)5-7(3)10(8)13/h5,8-9,12-13H,4H2,1-3H3
InChIKeyZYUGDWIQOCHAGU-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.32
Rot. Bonds2

About ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate

ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 154155166) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate
PubChem CID154155166
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1C(O)=C(C)C=C(C)C1O
InChIInChI=1S/C11H16O4/c1-4-15-11(14)8-9(12)6(2)5-7(3)10(8)13/h5,8-9,12-13H,4H2,1-3H3
InChIKeyZYUGDWIQOCHAGU-UHFFFAOYSA-N
XLogP1.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate (CID 154155166) is ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate is CCOC(=O)C1C(O)=C(C)C=C(C)C1O.
What is the InChIKey of ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is ZYUGDWIQOCHAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-15-11(14)8-9(12)6(2)5-7(3)10(8)13/h5,8-9,12-13H,4H2,1-3H3.
What are the key properties of ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate?
ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 154155166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).