[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate

C19H36O5Si — CID 134780043

IUPAC[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
SMILESCC(=O)O/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)OC(=O)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-14(23-17(21)18(3,4)5)16(12-11-13-22-15(2)20)24-25(9,10)19(6,7)8/h11,13-14,16H,12H2,1-10H3/b13-11-/t14?,16-/m1/s1
InChIKeyXVTNRFPREODEJE-WXMOLBAOSA-N
MW372.58 g/mol
LogP4.82
Rot. Bonds7

About [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate

[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 134780043) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
PubChem CID134780043
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
SMILESCC(=O)O/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)OC(=O)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-14(23-17(21)18(3,4)5)16(12-11-13-22-15(2)20)24-25(9,10)19(6,7)8/h11,13-14,16H,12H2,1-10H3/b13-11-/t14?,16-/m1/s1
InChIKeyXVTNRFPREODEJE-WXMOLBAOSA-N
XLogP4.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate 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

[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141
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
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-deuterioacetyl)oxy-3,4-dihydro-2H-pyran-2-yl]methyl 2-deuterioacetate
CID 140210237
4-O-Acetyl-3,6-di-O-triisopropylsilyl-D-galactal
CID 4193511
4-O-Acetyl-3,6-di-O-tert-butyldimethylsilyl-D-galactal
CID 4550722
4-O-Acetyl-3,6-di-O-(tert-butyldimethylsilyl)-D-galactal
CID 10432079
[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
CID 10696242
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 10785649
4-O-Acetyl-3,6-di-O-(triisopropylsilyl)-D-galactal
CID 10864029
[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
CID 11004258

Frequently Asked Questions

What is the IUPAC name of [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate (CID 134780043) is [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate is CC(=O)O/C=C\C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)OC(=O)C(C)(C)C.
What is the InChIKey of [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate?
The InChIKey is XVTNRFPREODEJE-WXMOLBAOSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-14(23-17(21)18(3,4)5)16(12-11-13-22-15(2)20)24-25(9,10)19(6,7)8/h11,13-14,16H,12H2,1-10H3/b13-11-/t14?,16-/m1/s1.
What are the key properties of [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate?
[(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 372.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134780043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).