methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate

C32H50O7Si2 — CID 134962461

IUPACmethyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
SMILESC=C(C[C@@H](OCc1ccccc1)C(=O)[C@](C)(O[Si](C)(C)C)C(=O)OC)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=C1C=O
InChIInChI=1S/C32H50O7Si2/c1-22(25-19-27(23(2)26(25)20-33)38-41(11,12)31(3,4)5)18-28(37-21-24-16-14-13-15-17-24)29(34)32(6,30(35)36-7)39-40(8,9)10/h13-17,20,25,27-28H,1,18-19,21H2,2-12H3/t25-,27-,28-,32+/m1/s1
InChIKeyBJUWGDFVDALAAB-WLYVSXJZSA-N
MW602.92 g/mol
LogP6.80
Rot. Bonds14

About methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate

methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate (PubChem CID 134962461) has the molecular formula C32H50O7Si2 and a molecular weight of 602.92 g/mol. Its IUPAC name is methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate.

Molecular Properties

Compound Namemethyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
PubChem CID134962461
Molecular FormulaC32H50O7Si2
Molecular Weight602.92 g/mol
Exact Mass602.31
IUPAC Namemethyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
SMILESC=C(C[C@@H](OCc1ccccc1)C(=O)[C@](C)(O[Si](C)(C)C)C(=O)OC)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=C1C=O
InChIInChI=1S/C32H50O7Si2/c1-22(25-19-27(23(2)26(25)20-33)38-41(11,12)31(3,4)5)18-28(37-21-24-16-14-13-15-17-24)29(34)32(6,30(35)36-7)39-40(8,9)10/h13-17,20,25,27-28H,1,18-19,21H2,2-12H3/t25-,27-,28-,32+/m1/s1
InChIKeyBJUWGDFVDALAAB-WLYVSXJZSA-N
XLogP6.80
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.92
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate 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

benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-oxohexanoate
CID 10872222
(4S)-Benzyl 4-((tert-butyldimethylsilyl)oxy)-2,5-dimethyl-3-oxohexanoate
CID 11760648
methyl (2S,4R)-6-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate
CID 134962458
methyl (2S)-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxybutanoate
CID 134962460
(4R,6R)-6-([1S,2S,6S,8S,8aR]-2-{1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-[2-(4-fluorobenzyloxy)-2-methylpropionyloxy]-2-methyl-1-naphthyl}ethyl)tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one
CID 54300129
[3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-[(4-fluorophenyl)methoxy]-2-methylpropanoate
CID 67730920
methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate
CID 11209840
tetramethyl 5-phenyl-2,2,3,4(5H)-furantetracarboxylate
CID 12820172
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial
CID 23248807
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde
CID 24749454
methyl (2R,4R,5R,6E,8R)-7-[tert-butyl(dimethyl)silyl]oxy-5-[dimethyl(phenyl)silyl]-4-formyl-2-(phenylmethoxymethyl)-3,4,5,8-tetrahydro-2H-oxocine-8-carboxylate
CID 24873833
[(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxoheptyl] benzoate
CID 25146470

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate?
The IUPAC name of methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate (CID 134962461) is methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate.
What is the SMILES notation for methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate?
The canonical SMILES for methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate is C=C(C[C@@H](OCc1ccccc1)C(=O)[C@](C)(O[Si](C)(C)C)C(=O)OC)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=C1C=O.
What is the InChIKey of methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate?
The InChIKey is BJUWGDFVDALAAB-WLYVSXJZSA-N. The full InChI is InChI=1S/C32H50O7Si2/c1-22(25-19-27(23(2)26(25)20-33)38-41(11,12)31(3,4)5)18-28(37-21-24-16-14-13-15-17-24)29(34)32(6,30(35)36-7)39-40(8,9)10/h13-17,20,25,27-28H,1,18-19,21H2,2-12H3/t25-,27-,28-,32+/m1/s1.
What are the key properties of methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate?
methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate has a molecular weight of 602.92 g/mol, XLogP of 6.80, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-6-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylcyclopent-2-en-1-yl]-2-methyl-3-oxo-4-phenylmethoxy-2-trimethylsilyloxyhept-6-enoate is sourced from PubChem (CID 134962461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).