methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate

C14H28O3Si — CID 101092609

IUPACmethyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C
InChIInChI=1S/C14H28O3Si/c1-10-8-9-11(12(10)13(15)16-5)17-18(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m0/s1
InChIKeyDCDFMFRHLOYWIL-SDDRHHMPSA-N
MW272.46 g/mol
LogP3.60
Rot. Bonds3

About methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate

methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate (PubChem CID 101092609) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
PubChem CID101092609
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C
InChIInChI=1S/C14H28O3Si/c1-10-8-9-11(12(10)13(15)16-5)17-18(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m0/s1
InChIKeyDCDFMFRHLOYWIL-SDDRHHMPSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.60
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 (1S,2R,4aS,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 11199038
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1S,2S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-2,4a,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate
CID 134835118
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
methyl (1'R,2'S,4'aS,8'R,8'aS)-8'-[tert-butyl(dimethyl)silyl]oxy-2'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-carboxylate
CID 10386176
methyl (1R,2S,5S)-2-(5-butan-2-yloxypentyl)-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 101092613
methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
CID 176753455
methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
CID 131850108
methyl (1S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 175910123
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl (1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclohexane-1-carboxylate
CID 102066665

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate (CID 101092609) is methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate is COC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C.
What is the InChIKey of methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate?
The InChIKey is DCDFMFRHLOYWIL-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-8-9-11(12(10)13(15)16-5)17-18(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m0/s1.
What are the key properties of methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate?
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 101092609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).