methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate

C10H14O5 — CID 18755506

IUPACmethyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1(OC)CC(C)C(=O)C=C1O
InChIInChI=1S/C10H14O5/c1-6-5-10(15-3,9(13)14-2)8(12)4-7(6)11/h4,6,12H,5H2,1-3H3
InChIKeyACUNJMAHKHKLLO-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.60
Rot. Bonds2

About methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate

methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 18755506) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID18755506
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1(OC)CC(C)C(=O)C=C1O
InChIInChI=1S/C10H14O5/c1-6-5-10(15-3,9(13)14-2)8(12)4-7(6)11/h4,6,12H,5H2,1-3H3
InChIKeyACUNJMAHKHKLLO-UHFFFAOYSA-N
XLogP0.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate (CID 18755506) is methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate is COC(=O)C1(OC)CC(C)C(=O)C=C1O.
What is the InChIKey of methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is ACUNJMAHKHKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-5-10(15-3,9(13)14-2)8(12)4-7(6)11/h4,6,12H,5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate?
methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 18755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).