dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate

C18H20O7 — CID 102202446

IUPACdimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate
SMILESC=C1C=CC(C(=O)OC)(C(=O)OC)CC12C=C(OC)C(=O)C(OC)=C2
InChIInChI=1S/C18H20O7/c1-11-6-7-18(15(20)24-4,16(21)25-5)10-17(11)8-12(22-2)14(19)13(9-17)23-3/h6-9H,1,10H2,2-5H3
InChIKeyBWZOXZWGDQIUAR-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.46
Rot. Bonds4

About dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate

dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate (PubChem CID 102202446) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate
PubChem CID102202446
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Namedimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate
SMILESC=C1C=CC(C(=O)OC)(C(=O)OC)CC12C=C(OC)C(=O)C(OC)=C2
InChIInChI=1S/C18H20O7/c1-11-6-7-18(15(20)24-4,16(21)25-5)10-17(11)8-12(22-2)14(19)13(9-17)23-3/h6-9H,1,10H2,2-5H3
InChIKeyBWZOXZWGDQIUAR-UHFFFAOYSA-N
XLogP1.46
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate?
The IUPAC name of dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate (CID 102202446) is dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate.
What is the SMILES notation for dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate?
The canonical SMILES for dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate is C=C1C=CC(C(=O)OC)(C(=O)OC)CC12C=C(OC)C(=O)C(OC)=C2.
What is the InChIKey of dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate?
The InChIKey is BWZOXZWGDQIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c1-11-6-7-18(15(20)24-4,16(21)25-5)10-17(11)8-12(22-2)14(19)13(9-17)23-3/h6-9H,1,10H2,2-5H3.
What are the key properties of dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate?
dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate has a molecular weight of 348.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4-dimethoxy-11-methylidene-3-oxospiro[5.5]undeca-1,4,9-triene-8,8-dicarboxylate is sourced from PubChem (CID 102202446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).