diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate

C14H22O6 — CID 134998812

IUPACdiethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCO2)C1
InChIInChI=1S/C14H22O6/c1-3-17-11(15)13(12(16)18-4-2)7-9-20-14(10-13)6-5-8-19-14/h3-10H2,1-2H3/t14-/m1/s1
InChIKeyOJUORBDAHVPHLM-CQSZACIVSA-N
MW286.32 g/mol
LogP1.42
Rot. Bonds4

About diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate

diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate (PubChem CID 134998812) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate.

Molecular Properties

Compound Namediethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate
PubChem CID134998812
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namediethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCO2)C1
InChIInChI=1S/C14H22O6/c1-3-17-11(15)13(12(16)18-4-2)7-9-20-14(10-13)6-5-8-19-14/h3-10H2,1-2H3/t14-/m1/s1
InChIKeyOJUORBDAHVPHLM-CQSZACIVSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.42
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 2-oxo-3-pentyloxolane-3-carboxylate
CID 5045113
methyl 2-methyl-2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 13858406
ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate
CID 101378579
methyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 101555620
3-Methyl-3-(oxan-2-yl)oxolan-2-one
CID 101790825
methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 134860893
(4S,5S)-4-methyl-5-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxolan-2-one
CID 134938288
diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
CID 134998609
Methyl 1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021109
methyl (1R,5S,6R)-1-ethoxy-5-methyl-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021112
dimethyl (1R,5S)-8-oxabicyclo[3.2.1]octane-6,6-dicarboxylate
CID 135021510
ethyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135041435

Frequently Asked Questions

What is the IUPAC name of diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate?
The IUPAC name of diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate (CID 134998812) is diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate.
What is the SMILES notation for diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate?
The canonical SMILES for diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCO[C@]2(CCCO2)C1.
What is the InChIKey of diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate?
The InChIKey is OJUORBDAHVPHLM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22O6/c1-3-17-11(15)13(12(16)18-4-2)7-9-20-14(10-13)6-5-8-19-14/h3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate?
diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate has a molecular weight of 286.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (5R)-1,6-dioxaspiro[4.5]decane-9,9-dicarboxylate is sourced from PubChem (CID 134998812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).