ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate

C14H27FO3Si — CID 86626207

IUPACethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C14H27FO3Si/c1-7-17-13(16)10-8-11(15)12(9-10)18-19(5,6)14(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1
InChIKeyCXYHKKIHJAHHMB-WOPDTQHZSA-N
MW290.45 g/mol
LogP3.69
Rot. Bonds4

About ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate

ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate (PubChem CID 86626207) has the molecular formula C14H27FO3Si and a molecular weight of 290.45 g/mol. Its IUPAC name is ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
PubChem CID86626207
Molecular FormulaC14H27FO3Si
Molecular Weight290.45 g/mol
Exact Mass290.17
IUPAC Nameethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C14H27FO3Si/c1-7-17-13(16)10-8-11(15)12(9-10)18-19(5,6)14(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1
InChIKeyCXYHKKIHJAHHMB-WOPDTQHZSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid
CID 67189653
methyl (3R)-3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 89372149
methyl (4S)-3-fluoro-4-methoxycyclopentane-1-carboxylate
CID 169566198
ethyl (1S,3R)-3-{[(tert-butyldimethylsilyl)oxy]methyl}-3-fluorocyclopentane-1-carboxylate
CID 11483539
Methyl 3-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 143419882
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
CID 10708379
cis-2-trimethylsilylethyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
CID 58128152
trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium
CID 59619268
(1S)-3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 67420658
3-[Butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 67420660
3-Triisopropylsilanyloxy-cyclopentanecarboxylic acid ethyl ester
CID 86706172

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate (CID 86626207) is ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate is CCOC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1.
What is the InChIKey of ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The InChIKey is CXYHKKIHJAHHMB-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H27FO3Si/c1-7-17-13(16)10-8-11(15)12(9-10)18-19(5,6)14(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1.
What are the key properties of ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate has a molecular weight of 290.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 86626207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).