diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate

C15H22O6 — CID 13234726

IUPACdiethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C(C)C=CC12OCCCO2
InChIInChI=1S/C15H22O6/c1-4-18-12(16)15(13(17)19-5-2)11(3)7-8-14(15)20-9-6-10-21-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyYRTXLOKYHRCONS-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.44
Rot. Bonds4

About diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate

diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate (PubChem CID 13234726) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
PubChem CID13234726
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Namediethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C(C)C=CC12OCCCO2
InChIInChI=1S/C15H22O6/c1-4-18-12(16)15(13(17)19-5-2)11(3)7-8-14(15)20-9-6-10-21-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyYRTXLOKYHRCONS-UHFFFAOYSA-N
XLogP1.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(E)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 135022397
dimethyl 2-[(Z)-4-methoxycarbonyloxybut-2-enyl]-2-prop-2-enylpropanedioate
CID 135045392
methyl 1'-oxospiro[1,3-dioxane-2,7'-4aH-cyclopenta[c]pyran]-7'a-carboxylate
CID 21670586
[(E,1R)-4-methyl-1-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)pent-2-enyl] acetate
CID 12122355
Dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
CID 13234727
methyl 2-[(2S,3R,6S)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,3-dihydropyran-6-yl]acetate
CID 21770702
methyl 2-[(2S,3S,6S)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,3-dihydropyran-6-yl]acetate
CID 21770703
Dimethyl 7-methoxy-1,4-dioxaspiro[4.4]non-8-ene-6,6-dicarboxylate
CID 24973650
[(2S,5S)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2,5-dihydrofuran-2-yl] acetate
CID 101348345
[(2R,5R)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2,5-dihydrofuran-2-yl] acetate
CID 101348346
diethyl 2-methyl-2-[(2S,5R)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2,5-dihydrofuran-2-yl]propanedioate
CID 101348354
diethyl 2-methyl-2-[(2R,5S)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2,5-dihydrofuran-2-yl]propanedioate
CID 101348355

Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The IUPAC name of diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate (CID 13234726) is diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C(C)C=CC12OCCCO2.
What is the InChIKey of diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The InChIKey is YRTXLOKYHRCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-18-12(16)15(13(17)19-5-2)11(3)7-8-14(15)20-9-6-10-21-14/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate has a molecular weight of 298.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate is sourced from PubChem (CID 13234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).