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

C18H38O3Si2 — CID 69218410

IUPACcis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(15)16(19)21-23(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyMCOYYMZEJDEYDL-CABCVRRESA-N
MW358.67 g/mol
LogP5.73
Rot. Bonds4

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

cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (PubChem CID 69218410) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
PubChem CID69218410
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Namecis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(15)16(19)21-23(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyMCOYYMZEJDEYDL-CABCVRRESA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.73
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
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
CID 156903644
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
Decanoic acid, 3-hydroxy-4-methyl, TBDMS, #1
CID 91753824
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
Trimethylsilyl 2-ethyl-3-[(trimethylsilyl)oxy]hexanoate
CID 91718976
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
[Tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 14711753
2-[Tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 22636916
rel-Ethyl (1R,2S)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclopentanecarboxylate
CID 58220969
cis-ethyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 58221011

Frequently Asked Questions

What is the IUPAC name of cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The IUPAC name of cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (CID 69218410) is cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The InChIKey is MCOYYMZEJDEYDL-CABCVRRESA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(15)16(19)21-23(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1.
What are the key properties of cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate has a molecular weight of 358.67 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 69218410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).