methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate

C27H44O4Si4 — CID 101486305

IUPACmethyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)[C@]1(c1ccc(OC)cc1)[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H44O4Si4/c1-29-23-19-17-22(18-20-23)27(24(25(27)26(28)30-2)21-15-13-12-14-16-21)35(33(6,7)8,34(9,10)11)31-32(3,4)5/h12-20,24-25H,1-11H3/t24?,25?,27-/m0/s1
InChIKeyLSBZHHKDSCXJLR-ONJSCSTBSA-N
MW544.99 g/mol
LogP6.69
Rot. Bonds9

About methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate

methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate (PubChem CID 101486305) has the molecular formula C27H44O4Si4 and a molecular weight of 544.99 g/mol. Its IUPAC name is methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate
PubChem CID101486305
Molecular FormulaC27H44O4Si4
Molecular Weight544.99 g/mol
Exact Mass544.23
IUPAC Namemethyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)[C@]1(c1ccc(OC)cc1)[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C27H44O4Si4/c1-29-23-19-17-22(18-20-23)27(24(25(27)26(28)30-2)21-15-13-12-14-16-21)35(33(6,7)8,34(9,10)11)31-32(3,4)5/h12-20,24-25H,1-11H3/t24?,25?,27-/m0/s1
InChIKeyLSBZHHKDSCXJLR-ONJSCSTBSA-N
XLogP6.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.99
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate 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

methyl (1R,2R,3S)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 11486656
methyl (1R,9R,10S,11S)-1-hydroxy-5-methoxy-9-(4-methoxyphenyl)-12-oxo-10-phenyl-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate
CID 175767159
methyl (1R,9R,10S,11R,12R)-12-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10,14-diphenyl-8,15-dioxa-13-azatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,13-tetraene-11-carboxylate
CID 146521277
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
dimethyl (1R,7R,8R,9R)-1,7-diphenyl-4-oxa-10-thia-3,5-diazatricyclo[5.2.1.02,6]deca-2,5-diene-8,9-dicarboxylate
CID 98238392
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(4-methoxyphenyl)-6,8-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
CID 58193076
methyl (1S,2S,3R,3aS,8bR)-1,6,8b-trihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
CID 124670983
N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
CID 25255130
methyl (1R,8R,9S,10R)-8-(4-bromophenyl)-1,11-dihydroxy-4-[(4-methoxyphenyl)methyl]-9-phenyl-7-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-10-carboxylate
CID 129180116
methyl (1R,3aR,6aR)-5-(4-methoxyphenyl)-4,6-dioxo-3,3-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CID 100911214
methyl (1R,9R)-9-(4-bromophenyl)-1-hydroxy-5-methoxy-12-oxo-10-phenyl-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate
CID 129150451

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate (CID 101486305) is methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate is COC(=O)C1C(c2ccccc2)[C@]1(c1ccc(OC)cc1)[Si](O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate?
The InChIKey is LSBZHHKDSCXJLR-ONJSCSTBSA-N. The full InChI is InChI=1S/C27H44O4Si4/c1-29-23-19-17-22(18-20-23)27(24(25(27)26(28)30-2)21-15-13-12-14-16-21)35(33(6,7)8,34(9,10)11)31-32(3,4)5/h12-20,24-25H,1-11H3/t24?,25?,27-/m0/s1.
What are the key properties of methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate?
methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate has a molecular weight of 544.99 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[bis(trimethylsilyl)-trimethylsilyloxysilyl]-2-(4-methoxyphenyl)-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 101486305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).