dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate

C29H26O6 — CID 122399786

IUPACdimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)OC12C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C29H26O6/c1-32-22-16-14-19(15-17-22)23-18-28(26(30)33-2,27(31)34-3)29(35-23)24(20-10-6-4-7-11-20)25(29)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3
InChIKeyYOWPQTNPAPHHPB-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.85
Rot. Bonds6

About dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate

dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate (PubChem CID 122399786) has the molecular formula C29H26O6 and a molecular weight of 470.52 g/mol. Its IUPAC name is dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
PubChem CID122399786
Molecular FormulaC29H26O6
Molecular Weight470.52 g/mol
Exact Mass470.17
IUPAC Namedimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)OC12C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C29H26O6/c1-32-22-16-14-19(15-17-22)23-18-28(26(30)33-2,27(31)34-3)29(35-23)24(20-10-6-4-7-11-20)25(29)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3
InChIKeyYOWPQTNPAPHHPB-UHFFFAOYSA-N
XLogP4.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 154707286
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate
CID 15503779
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
methyl 4-(4-methoxyphenyl)-2-(methylaminomethyl)-1,3-dioxane-2-carboxylate
CID 164667311
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
CID 135000493
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559138
dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 67965844

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate?
The IUPAC name of dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate (CID 122399786) is dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate.
What is the SMILES notation for dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate?
The canonical SMILES for dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate is COC(=O)C1(C(=O)OC)CC(c2ccc(OC)cc2)OC12C(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate?
The InChIKey is YOWPQTNPAPHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O6/c1-32-22-16-14-19(15-17-22)23-18-28(26(30)33-2,27(31)34-3)29(35-23)24(20-10-6-4-7-11-20)25(29)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3.
What are the key properties of dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate?
dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate has a molecular weight of 470.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(4-methoxyphenyl)-1,2-diphenyl-4-oxaspiro[2.4]hept-1-ene-7,7-dicarboxylate is sourced from PubChem (CID 122399786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).