ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate

C18H36O3Si — CID 11688482

IUPACethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate
SMILESCCOC(=O)[C@@H](C)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-20-17(19)14(3)15-11-10-13(2)16(15)12-21-22(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyIYJRGBSLQSMBJX-CAOSSQGBSA-N
MW328.57 g/mol
LogP4.87
Rot. Bonds6

About ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate

ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate (PubChem CID 11688482) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate
PubChem CID11688482
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nameethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate
SMILESCCOC(=O)[C@@H](C)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-20-17(19)14(3)15-11-10-13(2)16(15)12-21-22(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyIYJRGBSLQSMBJX-CAOSSQGBSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate 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 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate
CID 14270549
methyl 2-[(4aS,7S,7aS)-3,3,7,7a-tetramethyl-4,4a,5,6-tetrahydro-1H-cyclopenta[d]oxasilin-7-yl]acetate
CID 21604753
Methyl 7-[2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-oxocyclopentyl]heptanoate
CID 53941881
propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
CID 57320081
Ethyl 4-(tert-butyldimethylsilyloxy)-2-ethylcyclopentanecarboxylate
CID 58557197
methyl 7-[(2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58696583
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58749584
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
CID 59619347
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclopentyl]heptanoate
CID 70658850
ethyl (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
CID 70790466
Tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]methyl]-4-formylcyclopentyl]acetate
CID 90746087
methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate
CID 121340011

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate?
The IUPAC name of ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate (CID 11688482) is ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate?
The canonical SMILES for ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate is CCOC(=O)[C@@H](C)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate?
The InChIKey is IYJRGBSLQSMBJX-CAOSSQGBSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-20-17(19)14(3)15-11-10-13(2)16(15)12-21-22(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate?
ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate has a molecular weight of 328.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propanoate is sourced from PubChem (CID 11688482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).