dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate

C15H16O5 — CID 102137537

IUPACdimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2
InChIInChI=1S/C15H16O5/c1-10-8-15(12(17)19-2,13(18)20-3)9-14(10)6-4-11(16)5-7-14/h4-7H,1,8-9H2,2-3H3
InChIKeyRKOLGZBASFLBCS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.35
Rot. Bonds2

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

dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate (PubChem CID 102137537) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
PubChem CID102137537
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namedimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2
InChIInChI=1S/C15H16O5/c1-10-8-15(12(17)19-2,13(18)20-3)9-14(10)6-4-11(16)5-7-14/h4-7H,1,8-9H2,2-3H3
InChIKeyRKOLGZBASFLBCS-UHFFFAOYSA-N
XLogP1.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 3-(cyclohexylidenemethyl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11044544
dimethyl (3aS,6R)-6-methyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 11064824
dimethyl 8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11108211
Dimethyl 3-methylidene-4-(2-methylprop-1-enyl)cyclopentane-1,1-dicarboxylate
CID 11242197
diethyl (3E)-3-ethylidene-4-[(E)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11288997
dimethyl (3E)-3-ethylidene-4-[(E)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11357202
Dimethyl 8-methyl-7-oxo-5-propan-2-yl-1,3,3a,6-tetrahydroazulene-2,2-dicarboxylate
CID 11415949
diethyl (4E)-3-ethenyl-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 11780453
Dimethyl 7-methyl-5-propan-2-yl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 11818651
diethyl (4E)-3-[(E)-but-1-enyl]-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 15833846
ethyl 2-oxo-1-[(E)-3-oxobut-1-enyl]cyclopentane-1-carboxylate
CID 15852445
Dimethyl 5-oxocyclohex-3-ene-1,1-dicarboxylate
CID 42605208

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The IUPAC name of dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate (CID 102137537) is dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)CC12C=CC(=O)C=C2.
What is the InChIKey of dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
The InChIKey is RKOLGZBASFLBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-10-8-15(12(17)19-2,13(18)20-3)9-14(10)6-4-11(16)5-7-14/h4-7H,1,8-9H2,2-3H3.
What are the key properties of dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate?
dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methylidene-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate is sourced from PubChem (CID 102137537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).