dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate

C26H28O4 — CID 5260480

IUPACdimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate
SMILESCOC(=O)C1(C(=C(C)C)c2ccccc2)C2(C(=O)OC)C(C)(C)C12c1ccccc1
InChIInChI=1S/C26H28O4/c1-17(2)20(18-13-9-7-10-14-18)24(21(27)29-5)25(19-15-11-8-12-16-19)23(3,4)26(24,25)22(28)30-6/h7-16H,1-6H3
InChIKeyMQFUMJZYFWSACW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.79
Rot. Bonds5

About dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate

dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate (PubChem CID 5260480) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate
PubChem CID5260480
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Namedimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate
SMILESCOC(=O)C1(C(=C(C)C)c2ccccc2)C2(C(=O)OC)C(C)(C)C12c1ccccc1
InChIInChI=1S/C26H28O4/c1-17(2)20(18-13-9-7-10-14-18)24(21(27)29-5)25(19-15-11-8-12-16-19)23(3,4)26(24,25)22(28)30-6/h7-16H,1-6H3
InChIKeyMQFUMJZYFWSACW-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-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 3-(2,2-diphenylethenyl)-2,2-diphenylcyclopropane-1,1-dicarboxylate
CID 12722356
methyl 2-benzoyloxirane-2-carboxylate
CID 14685242
methyl (2R,3S)-3-benzoyl-2-phenyloxirane-2-carboxylate
CID 132961943
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
CID 14077313
methyl 3-(methoxymethyl)-2-methyl-3-phenyloxirane-2-carboxylate
CID 103466339
dimethyl 1-benzoyl-3,3-dimethylaziridine-2,2-dicarboxylate
CID 166446380
methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
CID 14984831
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
trans-dimethyl (2R,3S)-2,3-dimethyl-2-phenylcyclopropane-1,1-dicarboxylate
CID 134966090
ethane;methoxymethane;methyl benzoate
CID 90999424
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate?
The IUPAC name of dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate (CID 5260480) is dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate is COC(=O)C1(C(=C(C)C)c2ccccc2)C2(C(=O)OC)C(C)(C)C12c1ccccc1.
What is the InChIKey of dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate?
The InChIKey is MQFUMJZYFWSACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-17(2)20(18-13-9-7-10-14-18)24(21(27)29-5)25(19-15-11-8-12-16-19)23(3,4)26(24,25)22(28)30-6/h7-16H,1-6H3.
What are the key properties of dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate?
dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,4-dimethyl-2-(2-methyl-1-phenylprop-1-enyl)-3-phenylbicyclo[1.1.0]butane-1,2-dicarboxylate is sourced from PubChem (CID 5260480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).