methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate

C20H28O6 — CID 134839765

IUPACmethyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate
SMILESCOC(=O)C1C(OC)C(=O)OC12C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O
InChIInChI=1S/C20H28O6/c1-18(2,3)11-9-12(19(4,5)6)15(21)20(10-11)13(16(22)25-8)14(24-7)17(23)26-20/h9-10,13-14H,1-8H3
InChIKeyUUVDJFMCCBGZAX-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.61
Rot. Bonds2

About methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate

methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate (PubChem CID 134839765) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate
PubChem CID134839765
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Namemethyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate
SMILESCOC(=O)C1C(OC)C(=O)OC12C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O
InChIInChI=1S/C20H28O6/c1-18(2,3)11-9-12(19(4,5)6)15(21)20(10-11)13(16(22)25-8)14(24-7)17(23)26-20/h9-10,13-14H,1-8H3
InChIKeyUUVDJFMCCBGZAX-UHFFFAOYSA-N
XLogP2.61
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate with MolForge

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Related Compounds

[(3aS,4R,6Z,10E,11aS)-6,10-dimethyl-3-methylidene-2,5-dioxo-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
CID 21577297
Norcembrene 5
CID 21725162
[(3aS,4R,6R,7S,10E,11aS)-7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
CID 21577298
[(3aS,4R,7S,10E,11aS)-7-methoxy-6,6,10-trimethyl-3-methylidene-2,5-dioxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
CID 44409482
methyl (1S,5E,8S,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate
CID 46888489
[(3aS,4R,6R,7S,10E,11aS)-7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
CID 21577299
methyl (1S,5E,8S,12R)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate
CID 101222666
Atranone M
CID 139590222
Atranone N
CID 139590223
Atranone P
CID 139590225
methyl (1R,5Z,8R,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate
CID 162895791
methyl (1S,8S,12R)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate
CID 162895794

Frequently Asked Questions

What is the IUPAC name of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate?
The IUPAC name of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate (CID 134839765) is methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate.
What is the SMILES notation for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate?
The canonical SMILES for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate is COC(=O)C1C(OC)C(=O)OC12C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O.
What is the InChIKey of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate?
The InChIKey is UUVDJFMCCBGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-18(2,3)11-9-12(19(4,5)6)15(21)20(10-11)13(16(22)25-8)14(24-7)17(23)26-20/h9-10,13-14H,1-8H3.
What are the key properties of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate?
methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-7,9-diene-4-carboxylate is sourced from PubChem (CID 134839765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).