[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate

C18H34O3Si — CID 10734930

IUPAC[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-17(2,3)16(19)21-15-11-9-10-14(15)12-13-20-22(7,8)18(4,5)6/h9-10,14-15H,11-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyAYYCCOGXDKTFPU-HUUCEWRRSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds5

About [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate

[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate (PubChem CID 10734930) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
PubChem CID10734930
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-17(2,3)16(19)21-15-11-9-10-14(15)12-13-20-22(7,8)18(4,5)6/h9-10,14-15H,11-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyAYYCCOGXDKTFPU-HUUCEWRRSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
[(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 2,2-dimethylpropanoate
CID 10992495
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11132099
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate
CID 89190254
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
CID 175321794
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
CID 175866159

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate (CID 10734930) is [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate?
The InChIKey is AYYCCOGXDKTFPU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-17(2,3)16(19)21-15-11-9-10-14(15)12-13-20-22(7,8)18(4,5)6/h9-10,14-15H,11-13H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate?
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10734930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).