ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate

C19H36O4Si — CID 14270549

IUPACethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate
SMILESCCC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)[C@H]1CC(=O)OCC
InChIInChI=1S/C19H36O4Si/c1-8-10-15-14(13-23-24(6,7)19(3,4)5)11-17(20)16(15)12-18(21)22-9-2/h14-16H,8-13H2,1-7H3/t14-,15+,16-/m0/s1
InChIKeyRHKMWXVRAVOKPJ-XHSDSOJGSA-N
MW356.58 g/mol
LogP4.58
Rot. Bonds8

About ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate

ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate (PubChem CID 14270549) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate
PubChem CID14270549
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nameethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate
SMILESCCC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)[C@H]1CC(=O)OCC
InChIInChI=1S/C19H36O4Si/c1-8-10-15-14(13-23-24(6,7)19(3,4)5)11-17(20)16(15)12-18(21)22-9-2/h14-16H,8-13H2,1-7H3/t14-,15+,16-/m0/s1
InChIKeyRHKMWXVRAVOKPJ-XHSDSOJGSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate with MolForge

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Related Compounds

ethyl 4-[(1R,3aR,4R,6R,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-7-oxo-2,3,3a,4,5,6,8,8a-octahydro-1H-azulen-6-yl]-3-oxobutanoate
CID 134839599
Ethyl 3,5-diacetyl-2-(7-ethoxy-7-oxoheptyl)cyclopentane-1-carboxylate
CID 21553477
Methyl 7-[2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-oxocyclopentyl]heptanoate
CID 53941881
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate
CID 57067393
ethyl 7-[(1R)-2-(hexanoyloxymethyl)-5-oxocyclopentyl]heptanoate
CID 57314329
methyl 7-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate
CID 57878179
methyl 7-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopentyl]hept-5-ynoate
CID 59823834
(3aR,4S,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-3-oxooctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68010311
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclopentyl]heptanoate
CID 70658850
(3aR,4S,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-5,5,6,6,7,7-hexadeuterio-3-oxooctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 88552315
Tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]methyl]-4-formylcyclopentyl]acetate
CID 90746087
3-Trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate
CID 123331597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate (CID 14270549) is ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate is CCC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)[C@H]1CC(=O)OCC.
What is the InChIKey of ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate?
The InChIKey is RHKMWXVRAVOKPJ-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-8-10-15-14(13-23-24(6,7)19(3,4)5)11-17(20)16(15)12-18(21)22-9-2/h14-16H,8-13H2,1-7H3/t14-,15+,16-/m0/s1.
What are the key properties of ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate?
ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate has a molecular weight of 356.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propylcyclopentyl]acetate is sourced from PubChem (CID 14270549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).