dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate

C17H18O6 — CID 102191216

IUPACdimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
SMILESC=C=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2OC
InChIInChI=1S/C17H18O6/c1-5-11-9-17(14(19)22-3,15(20)23-4)10-16(11)7-6-12(18)8-13(16)21-2/h6-8H,1,9-10H2,2-4H3
InChIKeyYMLVSPMKDGHZPY-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.48
Rot. Bonds3

About dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate

dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate (PubChem CID 102191216) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
PubChem CID102191216
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Namedimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
SMILESC=C=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2OC
InChIInChI=1S/C17H18O6/c1-5-11-9-17(14(19)22-3,15(20)23-4)10-16(11)7-6-12(18)8-13(16)21-2/h6-8H,1,9-10H2,2-4H3
InChIKeyYMLVSPMKDGHZPY-UHFFFAOYSA-N
XLogP1.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The IUPAC name of dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate (CID 102191216) is dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate is C=C=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2OC.
What is the InChIKey of dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The InChIKey is YMLVSPMKDGHZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-5-11-9-17(14(19)22-3,15(20)23-4)10-16(11)7-6-12(18)8-13(16)21-2/h6-8H,1,9-10H2,2-4H3.
What are the key properties of dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethenylidene-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate is sourced from PubChem (CID 102191216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).