ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate

C24H48O6Si2 — CID 11271767

IUPACethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OC)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-15-28-21(25)17-18(26-9)19(27-10)20(30-32(13,14)23(5,6)7)24(17,8)16-29-31(11,12)22(2,3)4/h19-20H,15-16H2,1-14H3/t19-,20+,24+/m0/s1
InChIKeyOWZWQXXZEDVAQY-DCLXLUIPSA-N
MW488.81 g/mol
LogP5.90
Rot. Bonds9

About ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate

ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate (PubChem CID 11271767) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate
PubChem CID11271767
Molecular FormulaC24H48O6Si2
Molecular Weight488.81 g/mol
Exact Mass488.30
IUPAC Nameethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OC)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-15-28-21(25)17-18(26-9)19(27-10)20(30-32(13,14)23(5,6)7)24(17,8)16-29-31(11,12)22(2,3)4/h19-20H,15-16H2,1-14H3/t19-,20+,24+/m0/s1
InChIKeyOWZWQXXZEDVAQY-DCLXLUIPSA-N
XLogP5.90
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-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

ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate
CID 102389723
ethyl (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxocyclopentene-1-carboxylate
CID 12003363
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 2-[(1R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]heptan-6-yl]acetate
CID 101472100
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate
CID 178178667
3-ethoxycarbonyl-1,4-dimethyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
CID 139783356
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 57326931
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
CID 170618769
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate
CID 170603681

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate?
The IUPAC name of ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate (CID 11271767) is ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate is CCOC(=O)C1=C(OC)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate?
The InChIKey is OWZWQXXZEDVAQY-DCLXLUIPSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-15-28-21(25)17-18(26-9)19(27-10)20(30-32(13,14)23(5,6)7)24(17,8)16-29-31(11,12)22(2,3)4/h19-20H,15-16H2,1-14H3/t19-,20+,24+/m0/s1.
What are the key properties of ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate?
ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate has a molecular weight of 488.81 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-5-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 11271767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).