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

C17H34O3Si — CID 101092612

IUPACmethyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)12-10-11-13(14(12)15(18)19-7)20-21(8,9)17(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13-,14+/m0/s1
InChIKeyAIOKNEZRYGHWOO-MELADBBJSA-N
MW314.54 g/mol
LogP4.62
Rot. Bonds3

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

methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (PubChem CID 101092612) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
PubChem CID101092612
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)12-10-11-13(14(12)15(18)19-7)20-21(8,9)17(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13-,14+/m0/s1
InChIKeyAIOKNEZRYGHWOO-MELADBBJSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.62
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

Dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 12026984
Diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
CID 19904701
Methyl 7-[2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-oxocyclopentyl]heptanoate
CID 53941881
Methyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
CID 56991414
1-Triethylsiloxy-spiro[4.5]decane-2-carboxylic acid methyl ester
CID 57771373
carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium
CID 59734609
methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten
CID 59734624
carbanide;methyl 7-[(1R,2R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium
CID 59910559
methyl 7-[(1R,2R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten
CID 59910579
methyl 7-[(1S,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68011623
methyl 7-[(1S,2S,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643469
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643471

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (CID 101092612) is methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is COC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(C)(C)C.
What is the InChIKey of methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The InChIKey is AIOKNEZRYGHWOO-MELADBBJSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2,3)12-10-11-13(14(12)15(18)19-7)20-21(8,9)17(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13-,14+/m0/s1.
What are the key properties of methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
methyl (1R,2S,5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate has a molecular weight of 314.54 g/mol, XLogP of 4.62, 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-5-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 101092612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).