5-[tert-butyl(dimethyl)silyl]oxypentyl acetate

C13H28O3Si — CID 11334474

IUPAC5-[tert-butyl(dimethyl)silyl]oxypentyl acetate
SMILESCC(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyOZOATWAVGAVGPL-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate

5-[tert-butyl(dimethyl)silyl]oxypentyl acetate (PubChem CID 11334474) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypentyl acetate
PubChem CID11334474
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypentyl acetate
SMILESCC(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyOZOATWAVGAVGPL-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2s,4r)-5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentyl acetate
CID 12070742
Methyl 5-(tert-butyl-dimethylsilyl)oxypentanoate
CID 11139432
3-[Fluoro(dimethyl)silyl]pentyl acetate
CID 89675171
Pentyl 2-[fluoro(dimethyl)silyl]acetate
CID 89675483
(2S,4R)-1-Acetoxy-2,4-dimethyl-5-(triisopropylsilyloxy)pentane
CID 9543583
Ethyl 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoate
CID 11346650
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
[5-Acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
CID 11001678
4-(Tert-butyldimethylsiloxy)butyl acetate
CID 15253868
Acetic acid 7-(tert-butyl-dimethyl-silanyloxy)-hept-2-ynyl ester
CID 86593935
[Tert-butyl(dimethyl)silyl] acetate;ethoxyethane
CID 88384477
Pentyl 2-trimethylsilylpropanoate
CID 141314678

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate (CID 11334474) is 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate is CC(=O)OCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate?
The InChIKey is OZOATWAVGAVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-11H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate?
5-[tert-butyl(dimethyl)silyl]oxypentyl acetate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypentyl acetate is sourced from PubChem (CID 11334474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).