[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate

C16H30O5Si — CID 102277375

IUPAC[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(COC(C)=O)OC(C)=O
InChIInChI=1S/C16H30O5Si/c1-9-10-14(21-22(7,8)16(4,5)6)15(20-13(3)18)11-19-12(2)17/h9,14-15H,1,10-11H2,2-8H3/t14-,15?/m0/s1
InChIKeyYCVFOXGGDRIVEZ-MLCCFXAWSA-N
MW330.50 g/mol
LogP3.45
Rot. Bonds8

About [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate

[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate (PubChem CID 102277375) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate.

Molecular Properties

Compound Name[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
PubChem CID102277375
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(COC(C)=O)OC(C)=O
InChIInChI=1S/C16H30O5Si/c1-9-10-14(21-22(7,8)16(4,5)6)15(20-13(3)18)11-19-12(2)17/h9,14-15H,1,10-11H2,2-8H3/t14-,15?/m0/s1
InChIKeyYCVFOXGGDRIVEZ-MLCCFXAWSA-N
XLogP3.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134875305
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101338436
(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
CID 134780043
3-O-(tert-butyldimethyl-silyl)-4,6-di-O-acetyl-D-glucal
CID 10427623
(2R,3R,4R)-4-((tert-Butyldimethylsilyl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3-yl acetate
CID 14861341

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
The IUPAC name of [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate (CID 102277375) is [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate.
What is the SMILES notation for [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
The canonical SMILES for [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C(COC(C)=O)OC(C)=O.
What is the InChIKey of [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
The InChIKey is YCVFOXGGDRIVEZ-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-9-10-14(21-22(7,8)16(4,5)6)15(20-13(3)18)11-19-12(2)17/h9,14-15H,1,10-11H2,2-8H3/t14-,15?/m0/s1.
What are the key properties of [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate?
[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate has a molecular weight of 330.50 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate is sourced from PubChem (CID 102277375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).