diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate

C15H20O6 — CID 15175272

IUPACdiethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC2(C1)CC(C(=O)OCC)=C(C)O2
InChIInChI=1S/C15H20O6/c1-5-18-13(16)11-7-15(20-9(11)3)8-12(10(4)21-15)14(17)19-6-2/h5-8H2,1-4H3
InChIKeyQDLGVARBVBRBRQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.20
Rot. Bonds4

About diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate

diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate (PubChem CID 15175272) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
PubChem CID15175272
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namediethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC2(C1)CC(C(=O)OCC)=C(C)O2
InChIInChI=1S/C15H20O6/c1-5-18-13(16)11-7-15(20-9(11)3)8-12(10(4)21-15)14(17)19-6-2/h5-8H2,1-4H3
InChIKeyQDLGVARBVBRBRQ-UHFFFAOYSA-N
XLogP2.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-ethynyl-2,5-dimethyl-3H-furan-4-carboxylate
CID 12865633
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 8-sulfanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 87302879
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
CID 86336109
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 102414686
2-hydroxyethyl 5-methyl-2,2-diphenyl-3H-furan-4-carboxylate
CID 10496201
diethyl 2,6-dimethyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate
CID 58624989
ethyl 2,5-dimethyl-2-[4-(3-phenylprop-2-enoyl)piperazine-1-carbonyl]-3H-furan-4-carboxylate
CID 156612714

Frequently Asked Questions

What is the IUPAC name of diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate?
The IUPAC name of diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate (CID 15175272) is diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate.
What is the SMILES notation for diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate?
The canonical SMILES for diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate is CCOC(=O)C1=C(C)OC2(C1)CC(C(=O)OCC)=C(C)O2.
What is the InChIKey of diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate?
The InChIKey is QDLGVARBVBRBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-18-13(16)11-7-15(20-9(11)3)8-12(10(4)21-15)14(17)19-6-2/h5-8H2,1-4H3.
What are the key properties of diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate?
diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate is sourced from PubChem (CID 15175272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).