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

C16H22O5 — CID 177248605

IUPACdimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCC(C)(C)CC2)C(C(=O)OC)=C1
InChIInChI=1S/C16H22O5/c1-15(2)5-7-16(8-6-15)12(14(18)20-4)9-11(10-21-16)13(17)19-3/h9-10H,5-8H2,1-4H3
InChIKeyVINWMMPRXMQYOX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds2

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

dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248605) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248605
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namedimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCC(C)(C)CC2)C(C(=O)OC)=C1
InChIInChI=1S/C16H22O5/c1-15(2)5-7-16(8-6-15)12(14(18)20-4)9-11(10-21-16)13(17)19-3/h9-10H,5-8H2,1-4H3
InChIKeyVINWMMPRXMQYOX-UHFFFAOYSA-N
XLogP2.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248605) is dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is COC(=O)C1=COC2(CCC(C)(C)CC2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is VINWMMPRXMQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-15(2)5-7-16(8-6-15)12(14(18)20-4)9-11(10-21-16)13(17)19-3/h9-10H,5-8H2,1-4H3.
What are the key properties of dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).