dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

C15H20O5 — CID 177248586

IUPACdimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCCC(C)C2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-10-5-4-6-15(8-10)12(14(17)19-3)7-11(9-20-15)13(16)18-2/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRJAIBCURNHDZRI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds2

About dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248586) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248586
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namedimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCCC(C)C2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-10-5-4-6-15(8-10)12(14(17)19-3)7-11(9-20-15)13(16)18-2/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRJAIBCURNHDZRI-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
(5aS,7R)-3-methyl-7-prop-1-en-2-yl-5a,6,7,8-tetrahydropyrano[4,3-b]chromene-1,9-dione
CID 68329556
2-(5-methoxy-1-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-2-yl)propanedioic acid
CID 153801841
7-O-tert-butyl 2-O-ethyl bicyclo[3.3.1]non-2-ene-2,7-dicarboxylate
CID 154310575
Dimethyl 9-tert-butyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248585
Dimethyl 2-methyl-2-pentylpyran-3,5-dicarboxylate
CID 177248587
dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
CID 177248593
Dimethyl 9-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248595
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

Frequently Asked Questions

What is the IUPAC name of dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248586) is dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is COC(=O)C1=COC2(CCCC(C)C2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is RJAIBCURNHDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-10-5-4-6-15(8-10)12(14(17)19-3)7-11(9-20-15)13(16)18-2/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
dimethyl 10-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 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).