[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate

C15H28O3Si — CID 67853973

IUPAC[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
SMILESCC(=O)OC1CC=CC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3
InChIKeyNYKVAYPETXQJJW-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds5

About [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate

[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate (PubChem CID 67853973) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
PubChem CID67853973
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
SMILESCC(=O)OC1CC=CC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3
InChIKeyNYKVAYPETXQJJW-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
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

ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 102392364
[(1S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 101633418
[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 10333359
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 15674821
2-(2-Trimethylsilyl-2-propyl)carbonyloxy-5-norbornene
CID 23002963
(1S,2R)-2-[1-(tert-Butyldimethylsilyloxy)-cyclopent-3-en-2-yl]ethyl acetate
CID 50942718
[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
CID 57284807
methyl 2-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 58878678
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
CID 67640794
Acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
CID 67853974
2-[5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
CID 75587412
[(1R,6S)-6-ethenyl-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl] 2,2-dimethylpropanoate
CID 9995566

Frequently Asked Questions

What is the IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate (CID 67853973) is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The canonical SMILES for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate is CC(=O)OC1CC=CC1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
The InChIKey is NYKVAYPETXQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(16)18-14-9-7-8-13(14)10-11-17-19(5,6)15(2,3)4/h7-8,13-14H,9-11H2,1-6H3.
What are the key properties of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate?
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 67853973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).