dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

C15H20O5 — CID 177248595

IUPACdimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCC(C)CC2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-10-4-6-15(7-5-10)12(14(17)19-3)8-11(9-20-15)13(16)18-2/h8-10H,4-7H2,1-3H3
InChIKeyRXYFZNCIVRHPJB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds2

About dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248595) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248595
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namedimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCC(C)CC2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-10-4-6-15(7-5-10)12(14(17)19-3)8-11(9-20-15)13(16)18-2/h8-10H,4-7H2,1-3H3
InChIKeyRXYFZNCIVRHPJB-UHFFFAOYSA-N
XLogP2.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 9-(trifluoromethyl)-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248621
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
CID 574542
Dimethyl 9-tert-butyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248585
Dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248586
Dimethyl 2-methyl-2-pentylpyran-3,5-dicarboxylate
CID 177248587
dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
CID 177248593
Dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248596
dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate
CID 177248601
Dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248602
dimethyl 2-cyclobutyl-2H-pyran-3,5-dicarboxylate
CID 177248603
Dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248605
Dimethyl 11-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248608

Frequently Asked Questions

What is the IUPAC name of dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248595) is dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is COC(=O)C1=COC2(CCC(C)CC2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is RXYFZNCIVRHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-10-4-6-15(7-5-10)12(14(17)19-3)8-11(9-20-15)13(16)18-2/h8-10H,4-7H2,1-3H3.
What are the key properties of dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).