[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate

C14H28O4Si — CID 91709836

IUPAC[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate
SMILESCCCCC(OC(C)=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-9-10-12(17-11(2)15)13(16)18-19(6,7)14(3,4)5/h12H,8-10H2,1-7H3
InChIKeyDXVKUPOFQPZERU-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.66
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate

[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate (PubChem CID 91709836) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate
PubChem CID91709836
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate
SMILESCCCCC(OC(C)=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-9-10-12(17-11(2)15)13(16)18-19(6,7)14(3,4)5/h12H,8-10H2,1-7H3
InChIKeyDXVKUPOFQPZERU-UHFFFAOYSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(acetyloxy)hexanoate
CID 11137872
Methyl 2-triethylsilylperoxyhexanoate
CID 85612781
methyl (2S)-2-acetyloxyhexanoate
CID 101044597
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
(1-Ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134973617
2-O-(1-ethoxy-1-oxohexan-2-yl) 1-O-methyl oxalate
CID 176430514
Ethyl 2-acetyloxyhexanoate
CID 11745706
Ethyl 2-{[tert-butyl(dimethyl)silyl]oxy}hexanoate
CID 57438620
Potassium 2-triethylsilyloxane-2-carboxylate
CID 67925395
(1-Ethoxy-1-oxopropan-2-yl) hexanoate
CID 88059057
Ethyl 2-propanoyloxyhexanoate
CID 88422124
Methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoate
CID 88493385

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate (CID 91709836) is [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate is CCCCC(OC(C)=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate?
The InChIKey is DXVKUPOFQPZERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-9-10-12(17-11(2)15)13(16)18-19(6,7)14(3,4)5/h12H,8-10H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate?
[tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate has a molecular weight of 288.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-acetyloxyhexanoate is sourced from PubChem (CID 91709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).