[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate

C14H30O4Si — CID 102354775

IUPAC[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
SMILESCC(=O)OC(CO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h13,15H,7-11H2,1-6H3
InChIKeyBJFFLMYYJIYTDO-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds8

About [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate

[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate (PubChem CID 102354775) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
PubChem CID102354775
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
SMILESCC(=O)OC(CO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h13,15H,7-11H2,1-6H3
InChIKeyBJFFLMYYJIYTDO-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
(1-hydroxy-6-methoxyhexan-2-yl) acetate
CID 58841527
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
[6-[tert-butyl(dimethyl)silyl]oxy-2-nitrohexan-3-yl] acetate
CID 11580562
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755

Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate (CID 102354775) is [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate is CC(=O)OC(CO)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate?
The InChIKey is BJFFLMYYJIYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-12(16)18-13(11-15)9-7-8-10-17-19(5,6)14(2,3)4/h13,15H,7-11H2,1-6H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate?
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate has a molecular weight of 290.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate is sourced from PubChem (CID 102354775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).