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Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate

C16H18O6 — CID 10686081

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=CC(C(C)(C)C)=CC2=O
InChIInChI=1S/C16H18O6/c1-15(2,3)9-6-7-16(10(17)8-9)11(13(18)21-5)12(20-4)14(19)22-16/h6-8H,1-5H3
InChIKeyXZZAGAYMUNLOJM-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.47
Rot. Bonds2

About Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate

Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate (PubChem CID 10686081) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate.

Molecular Properties

Compound NameMethyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
PubChem CID10686081
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namemethyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=CC(C(C)(C)C)=CC2=O
InChIInChI=1S/C16H18O6/c1-15(2,3)9-6-7-16(10(17)8-9)11(13(18)21-5)12(20-4)14(19)22-16/h6-8H,1-5H3
InChIKeyXZZAGAYMUNLOJM-UHFFFAOYSA-N
XLogP1.47
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?
The IUPAC name of Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate (CID 10686081) is methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate.
What is the SMILES notation for Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?
The canonical SMILES for Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C=CC(C(C)(C)C)=CC2=O.
What is the InChIKey of Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?
The InChIKey is XZZAGAYMUNLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-15(2,3)9-6-7-16(10(17)8-9)11(13(18)21-5)12(20-4)14(19)22-16/h6-8H,1-5H3.
What are the key properties of Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?
Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate is sourced from PubChem (CID 10686081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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