diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate

C15H24O6 — CID 134998609

IUPACdiethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCCO2)C1
InChIInChI=1S/C15H24O6/c1-3-18-12(16)14(13(17)19-4-2)8-10-21-15(11-14)7-5-6-9-20-15/h3-11H2,1-2H3/t15-/m1/s1
InChIKeyLTOWQHWMKHJYAS-OAHLLOKOSA-N
MW300.35 g/mol
LogP1.81
Rot. Bonds4

About diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate

diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate (PubChem CID 134998609) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
PubChem CID134998609
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namediethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCCO2)C1
InChIInChI=1S/C15H24O6/c1-3-18-12(16)14(13(17)19-4-2)8-10-21-15(11-14)7-5-6-9-20-15/h3-11H2,1-2H3/t15-/m1/s1
InChIKeyLTOWQHWMKHJYAS-OAHLLOKOSA-N
XLogP1.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethyl 2-acetylspiro[3.4]octane-2-carboxylate
CID 79560430
ethyl (2S)-2-formyloxane-2-carboxylate
CID 129408231
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
ethyl (2S)-2-(difluoromethyl)oxane-2-carboxylate
CID 124673562
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
diethyl (4E)-cyclotetradec-4-ene-1,1-dicarboxylate
CID 11515597
diethyl (3aS,6aR)-spiro[3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,1'-cycloheptane]-5,5-dicarboxylate
CID 11439165
ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14525142
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
ethyl 2-(3-ethenyl-7,12-dioxaspiro[5.6]dodecan-3-yl)acetate
CID 16680748

Frequently Asked Questions

What is the IUPAC name of diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate?
The IUPAC name of diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate (CID 134998609) is diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate.
What is the SMILES notation for diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate?
The canonical SMILES for diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCCO2)C1.
What is the InChIKey of diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate?
The InChIKey is LTOWQHWMKHJYAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-18-12(16)14(13(17)19-4-2)8-10-21-15(11-14)7-5-6-9-20-15/h3-11H2,1-2H3/t15-/m1/s1.
What are the key properties of diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate?
diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate is sourced from PubChem (CID 134998609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).