methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate

C20H26O6 — CID 15470693

IUPACmethyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C
InChIInChI=1S/C20H26O6/c1-18(2,3)11-10-20(13(9-12(11)21)19(4,5)6)14(16(22)25-8)15(24-7)17(23)26-20/h9-10H,1-8H3
InChIKeyWURUCDUNTDJBPG-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.88
Rot. Bonds2

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

methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (PubChem CID 15470693) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
PubChem CID15470693
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Namemethyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C
InChIInChI=1S/C20H26O6/c1-18(2,3)11-10-20(13(9-12(11)21)19(4,5)6)14(16(22)25-8)15(24-7)17(23)26-20/h9-10H,1-8H3
InChIKeyWURUCDUNTDJBPG-UHFFFAOYSA-N
XLogP2.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[3-Tert-butyl-1-(2,3-dihydrofuran-5-yl)-2-methyl-4-oxocyclobut-2-en-1-yl] acetate
CID 10849209
Methyl 7,9-ditert-butyl-3,10-dimethoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10572593
Methyl 9-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10852161
Methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
CID 15470692
Methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10546577
[3-tert-butyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-4-oxocyclobut-2-en-1-yl] acetate
CID 10660223
Methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
CID 15470690
methyl (5S)-7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 102090553
methyl 3-[2-(2-methoxy-2-oxoethyl)-4-[(E)-3-methoxy-3-oxoprop-1-enoxy]-3-methyl-5-oxofuran-2-yl]propanoate
CID 102257113
methyl (1R,5S)-3,5-ditert-butyl-2-oxo-6-oxabicyclo[3.1.0]hex-3-ene-1-carboxylate
CID 102477400

Frequently Asked Questions

What is the IUPAC name of methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The IUPAC name of methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (CID 15470693) is methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.
What is the SMILES notation for methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The canonical SMILES for methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C.
What is the InChIKey of methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The InChIKey is WURUCDUNTDJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-18(2,3)11-10-20(13(9-12(11)21)19(4,5)6)14(16(22)25-8)15(24-7)17(23)26-20/h9-10H,1-8H3.
What are the key properties of methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate has a molecular weight of 362.42 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,9-ditert-butyl-3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is sourced from PubChem (CID 15470693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).