ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate

C23H48O5Si2 — CID 10575965

IUPACethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-13-26-20(24)15-23(25)14-19(28-30(11,12)22(6,7)8)17(2)18(23)16-27-29(9,10)21(3,4)5/h17-19,25H,13-16H2,1-12H3/t17-,18-,19+,23?/m1/s1
InChIKeyDNCGJIOVNJBCHA-NFALYKFKSA-N
MW460.80 g/mol
LogP5.74
Rot. Bonds8

About ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate

ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate (PubChem CID 10575965) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
PubChem CID10575965
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Nameethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-13-26-20(24)15-23(25)14-19(28-30(11,12)22(6,7)8)17(2)18(23)16-27-29(9,10)21(3,4)5/h17-19,25H,13-16H2,1-12H3/t17-,18-,19+,23?/m1/s1
InChIKeyDNCGJIOVNJBCHA-NFALYKFKSA-N
XLogP5.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate 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 (3aS,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-pentalene-1-carboxylate
CID 12816911
(1R,13R,14S,16R)-16-[tert-butyl(dimethyl)silyl]oxy-4-(1,1-difluoropentyl)-14-hydroxy-5-oxabicyclo[11.3.0]hexadecan-6-one
CID 173646448
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710
ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
CID 102392356
trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
CID 134832405
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 135009534
methyl 6-[(1S,2S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopentyl]hexanoate
CID 164667811
Methyl 3-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)propanoate
CID 620294
Methyl 8-(2-(3-methoxy-3-oxopropyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)-6-oxooctanoate
CID 620295
(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 10685646
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate (CID 10575965) is ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate is CCOC(=O)CC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
The InChIKey is DNCGJIOVNJBCHA-NFALYKFKSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-13-26-20(24)15-23(25)14-19(28-30(11,12)22(6,7)8)17(2)18(23)16-27-29(9,10)21(3,4)5/h17-19,25H,13-16H2,1-12H3/t17-,18-,19+,23?/m1/s1.
What are the key properties of ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate?
ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate has a molecular weight of 460.80 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate is sourced from PubChem (CID 10575965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).