diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate

C13H20O6 — CID 177495565

IUPACdiethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCOC12OCC[C@H]2C(=O)OCC
InChIInChI=1S/C13H20O6/c1-3-16-11(14)9-5-7-18-13(9)10(6-8-19-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3/t9-,10-,13?/m0/s1
InChIKeyQLBJTBBGSMLSCJ-UCBNGSGESA-N
MW272.30 g/mol
LogP0.88
Rot. Bonds4

About diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate

diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate (PubChem CID 177495565) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate
PubChem CID177495565
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Namediethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCOC12OCC[C@H]2C(=O)OCC
InChIInChI=1S/C13H20O6/c1-3-16-11(14)9-5-7-18-13(9)10(6-8-19-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3/t9-,10-,13?/m0/s1
InChIKeyQLBJTBBGSMLSCJ-UCBNGSGESA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate
CID 134895177
CID 57693272
CID 57693272
CID 57693362
CID 57693362
methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
CID 70795381
ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
CID 70795382
3-[Methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione
CID 89382058
methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate
CID 129184903
Bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate
CID 170364795
1,6-Dioxaspiro[4.4]nonane-4-carboxylic acid
CID 71356094
methyl (3S,3aS,6aS)-5-oxo-6a-(2-oxopropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-carboxylate
CID 101567038
methyl 2-[(2R,3R)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate
CID 102056585
methyl 2-[(2R,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate
CID 102056586

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate?
The IUPAC name of diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate (CID 177495565) is diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate.
What is the SMILES notation for diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate?
The canonical SMILES for diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate is CCOC(=O)[C@@H]1CCOC12OCC[C@H]2C(=O)OCC.
What is the InChIKey of diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate?
The InChIKey is QLBJTBBGSMLSCJ-UCBNGSGESA-N. The full InChI is InChI=1S/C13H20O6/c1-3-16-11(14)9-5-7-18-13(9)10(6-8-19-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3/t9-,10-,13?/m0/s1.
What are the key properties of diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate?
diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,9R)-1,6-dioxaspiro[4.4]nonane-4,9-dicarboxylate is sourced from PubChem (CID 177495565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).