6-tri(propan-2-yl)silyloxyhexanoic acid

C15H32O3Si — CID 86087422

IUPAC6-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCC(C)[Si](OCCCCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-7-8-10-15(16)17/h12-14H,7-11H2,1-6H3,(H,16,17)
InChIKeyZYFTUJAIQOGKLX-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.82
Rot. Bonds10

About 6-tri(propan-2-yl)silyloxyhexanoic acid

6-tri(propan-2-yl)silyloxyhexanoic acid (PubChem CID 86087422) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 6-tri(propan-2-yl)silyloxyhexanoic acid.

Molecular Properties

Compound Name6-tri(propan-2-yl)silyloxyhexanoic acid
PubChem CID86087422
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name6-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCC(C)[Si](OCCCCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-7-8-10-15(16)17/h12-14H,7-11H2,1-6H3,(H,16,17)
InChIKeyZYFTUJAIQOGKLX-UHFFFAOYSA-N
XLogP4.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
Butyl triethylsilyl acetate
CID 125473299
Heptanoic acid, 7-t-butyldimethylsilyloxy-
CID 554796
Adipic acid, trimethylsilyl ester
CID 57264864
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
11-Triethoxysilylundecanoic acid
CID 22725829
5-(Triethoxysilyl)pentanoic acid
CID 22725831
[Tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 15838476
15-Trimethylsiloxypentadecanoic acid
CID 129810824
6-(Trimethylsilyl)hexanoic acid
CID 262866
6-[Tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884

Frequently Asked Questions

What is the IUPAC name of 6-tri(propan-2-yl)silyloxyhexanoic acid?
The IUPAC name of 6-tri(propan-2-yl)silyloxyhexanoic acid (CID 86087422) is 6-tri(propan-2-yl)silyloxyhexanoic acid.
What is the SMILES notation for 6-tri(propan-2-yl)silyloxyhexanoic acid?
The canonical SMILES for 6-tri(propan-2-yl)silyloxyhexanoic acid is CC(C)[Si](OCCCCCC(=O)O)(C(C)C)C(C)C.
What is the InChIKey of 6-tri(propan-2-yl)silyloxyhexanoic acid?
The InChIKey is ZYFTUJAIQOGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-7-8-10-15(16)17/h12-14H,7-11H2,1-6H3,(H,16,17).
What are the key properties of 6-tri(propan-2-yl)silyloxyhexanoic acid?
6-tri(propan-2-yl)silyloxyhexanoic acid has a molecular weight of 288.50 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tri(propan-2-yl)silyloxyhexanoic acid is sourced from PubChem (CID 86087422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).