(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

C17H32O6Si — CID 134973617

IUPAC(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
SMILESCCOC(=O)C(C)OC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-8-21-16(20)13(2)23-15(19)12-14(18)10-9-11-22-24(6,7)17(3,4)5/h13H,8-12H2,1-7H3
InChIKeyBQQFUBYSCYWOES-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.24
Rot. Bonds10

About (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (PubChem CID 134973617) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
PubChem CID134973617
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
SMILESCCOC(=O)C(C)OC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-8-21-16(20)13(2)23-15(19)12-14(18)10-9-11-22-24(6,7)17(3,4)5/h13H,8-12H2,1-7H3
InChIKeyBQQFUBYSCYWOES-UHFFFAOYSA-N
XLogP3.24
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 6-triisopropylsiloxy-3-oxohexanoate
CID 13969802
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
tert-Butyldimethylsilyl 2-acetoxyhexanoate
CID 91709836
[(2S,3R,4S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxohexan-2-yl] acetate
CID 101214067
butyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-3-oxohexanoate
CID 89087449
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,5-dione
CID 91348708

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (CID 134973617) is (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate is CCOC(=O)C(C)OC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The InChIKey is BQQFUBYSCYWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-8-21-16(20)13(2)23-15(19)12-14(18)10-9-11-22-24(6,7)17(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
(1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate has a molecular weight of 360.52 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate is sourced from PubChem (CID 134973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).