[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate

C14H30O3Si — CID 6421207

IUPAC[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate
SMILESCCCC(O)C(CC)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-10-12(15)11(9-2)13(16)17-18(6,7)14(3,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyWTAPCEWZPUXTKA-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.72
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate

[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate (PubChem CID 6421207) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate
PubChem CID6421207
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate
SMILESCCCC(O)C(CC)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-10-12(15)11(9-2)13(16)17-18(6,7)14(3,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyWTAPCEWZPUXTKA-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-3-hydroxyhexanoic acid
CID 22157349
(2S)-2-((1R)-1-hydroxyethyl)-5-methylhexanoic acid
CID 170912877
(2S)-2-[(1S)-1-hydroxyethyl]hexanoic acid
CID 170913171
(2S)-2-((1R)-1-hydroxyethyl)hexanoic acid
CID 170916760
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
Butanol acetate butyrate
CID 129689664
CID 174860028
CID 174860028
3-Hydroxy-4-methylheptanoic acid
CID 14280453
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
CID 11460855
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
CID 24767664
(3s,4s)-3-[t-Butyl(dimethyl)siloxy]-4-methyldecanoic acid
CID 129748160
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
CID 135016301

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate (CID 6421207) is [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate is CCCC(O)C(CC)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate?
The InChIKey is WTAPCEWZPUXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-10-12(15)11(9-2)13(16)17-18(6,7)14(3,4)5/h11-12,15H,8-10H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate?
[tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate has a molecular weight of 274.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-ethyl-3-hydroxyhexanoate is sourced from PubChem (CID 6421207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).