diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

C16H22O5 — CID 177248614

IUPACdiethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCCOC(=O)C1=COC2(CCCCC2)C(C(=O)OCC)=C1
InChIInChI=1S/C16H22O5/c1-3-19-14(17)12-10-13(15(18)20-4-2)16(21-11-12)8-6-5-7-9-16/h10-11H,3-9H2,1-2H3
InChIKeyDZZFUAHLOMBYPQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.66
Rot. Bonds4

About diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248614) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248614
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namediethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCCOC(=O)C1=COC2(CCCCC2)C(C(=O)OCC)=C1
InChIInChI=1S/C16H22O5/c1-3-19-14(17)12-10-13(15(18)20-4-2)16(21-11-12)8-6-5-7-9-16/h10-11H,3-9H2,1-2H3
InChIKeyDZZFUAHLOMBYPQ-UHFFFAOYSA-N
XLogP2.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Deflectin 1a
CID 146682039
methyl (3S,8S,8aR)-3-acetyloxy-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
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methyl (3S,8S,8aR)-5-methyl-3-(2-methylpropanoyloxy)-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248614) is diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is CCOC(=O)C1=COC2(CCCCC2)C(C(=O)OCC)=C1.
What is the InChIKey of diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is DZZFUAHLOMBYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-3-19-14(17)12-10-13(15(18)20-4-2)16(21-11-12)8-6-5-7-9-16/h10-11H,3-9H2,1-2H3.
What are the key properties of diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).