cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate

C24H22O4 — CID 174872515

IUPACcyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
SMILESC1=CCC=C1.COC(=O)C1(C(=O)OC)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16O4.C5H6/c1-22-17(20)19(18(21)23-2)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19;1-2-4-5-3-1/h3-12H,1-2H3;1-4H,5H2
InChIKeyMMKIIYIKPBLTPP-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.22
Rot. Bonds3

About cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate

cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate (PubChem CID 174872515) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
PubChem CID174872515
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namecyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
SMILESC1=CCC=C1.COC(=O)C1(C(=O)OC)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16O4.C5H6/c1-22-17(20)19(18(21)23-2)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19;1-2-4-5-3-1/h3-12H,1-2H3;1-4H,5H2
InChIKeyMMKIIYIKPBLTPP-UHFFFAOYSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate
CID 175165492
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CID 134847821
dimethyl 4H-naphthalene-1,1-dicarboxylate
CID 14462724
dimethyl 3-(hydroxymethyl)-2-phenylindene-1,1-dicarboxylate
CID 126715852
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CID 11152606
dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 167304350
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
1-ethyl-3-phenyl-1-propylindene
CID 176714898
methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
CID 12046332
2-chloro-9-hydroxyfluorene-9-carboxylic acid;methyl 2-chloro-9-hydroxyfluorene-9-carboxylate
CID 23205823
methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate
CID 53360037

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate?
The IUPAC name of cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate (CID 174872515) is cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate.
What is the SMILES notation for cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate?
The canonical SMILES for cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate is C1=CCC=C1.COC(=O)C1(C(=O)OC)C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate?
The InChIKey is MMKIIYIKPBLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4.C5H6/c1-22-17(20)19(18(21)23-2)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19;1-2-4-5-3-1/h3-12H,1-2H3;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate?
cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate is sourced from PubChem (CID 174872515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).