[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate

C15H30O3Si — CID 140781546

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C15H30O3Si/c1-12(16)17-10-14(13-8-7-9-13)11-18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3
InChIKeyAUBSODYURYZEQJ-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.99
Rot. Bonds6

About [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate (PubChem CID 140781546) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
PubChem CID140781546
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C15H30O3Si/c1-12(16)17-10-14(13-8-7-9-13)11-18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3
InChIKeyAUBSODYURYZEQJ-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2S)-2-[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]cyclobutyl]methyl acetate
CID 101143952
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
CID 67640794
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 167430541
[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
CID 10812763
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate (CID 140781546) is [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate is CC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C1CCC1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate?
The InChIKey is AUBSODYURYZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(16)17-10-14(13-8-7-9-13)11-18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate has a molecular weight of 286.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate is sourced from PubChem (CID 140781546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).