cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

C14H28O3Si — CID 58220969

IUPACcis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12(11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyFESLGQSAIKKHKS-NEPJUHHUSA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds4

About cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (PubChem CID 58220969) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
PubChem CID58220969
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namecis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12(11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyFESLGQSAIKKHKS-NEPJUHHUSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
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

methyl (1R,2R,4S)-4-fluoro-2-trimethylsilyloxycyclopentane-1-carboxylate
CID 140882421
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025
Ethyl 2-ethyl-3-trimethylsilyloxyvalerate
CID 552933
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
cis-ethyl (1R,2S)-2-methoxycyclopentane-1-carboxylate
CID 12152953
Ethyl 2-acetyloxycyclopentane-1-carboxylate
CID 12950285
Ethyl 3-((tert-butyldimethylsilyl)oxy)hexanoate
CID 14264095
[Tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 14711753
Ethyl 2-methoxycyclopentane-1-carboxylate
CID 14711759
2-[Tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 22636916

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (CID 58220969) is cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The InChIKey is FESLGQSAIKKHKS-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12(11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 58220969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).