[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate

C15H30O3Si — CID 101451829

IUPAC[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate
SMILESCCCCC(OC(C)=O)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-10-14(18-12(2)16)13(17)11-19(6,7)15(3,4)5/h14H,8-11H2,1-7H3
InChIKeyNVSWDLWLCQDCNX-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.19
Rot. Bonds7

About [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate

[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate (PubChem CID 101451829) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate
PubChem CID101451829
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate
SMILESCCCCC(OC(C)=O)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-10-14(18-12(2)16)13(17)11-19(6,7)15(3,4)5/h14H,8-11H2,1-7H3
InChIKeyNVSWDLWLCQDCNX-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
tert-Butyldimethylsilyl 2-acetoxyhexanoate
CID 91709836
2-Heptanone, 3-(acetyloxy)-
CID 11171241
Ethyl 2-{[tert-butyl(dimethyl)silyl]oxy}hexanoate
CID 57438620
Ethyl 6-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate
CID 141719024
Ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate
CID 155776650
[(3R)-2-oxoheptan-3-yl] acetate
CID 101361297
Ethyl 2-oxo-8-trimethylsilyloct-6-ynoate
CID 101518228
(5R)-5-(2-trimethylsilylethoxy)octan-4-one
CID 101859783
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 124635881
ethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 124635882
Methyl 6-[ethoxy(dimethyl)silyl]-2-oxohexanoate
CID 160469319

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate (CID 101451829) is [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate is CCCCC(OC(C)=O)C(=O)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate?
The InChIKey is NVSWDLWLCQDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-9-10-14(18-12(2)16)13(17)11-19(6,7)15(3,4)5/h14H,8-11H2,1-7H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate?
[1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate is sourced from PubChem (CID 101451829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).