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

C14H30O3Si — CID 91752569

IUPAC[tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h12,15H,7-11H2,1-6H3
InChIKeyUYMDSEGXUSBUIQ-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.87
Rot. Bonds7

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

[tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate (PubChem CID 91752569) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate
PubChem CID91752569
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h12,15H,7-11H2,1-6H3
InChIKeyUYMDSEGXUSBUIQ-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Hydroxycaprylic Acid
CID 94180
2-Hydroxytetradecanoic acid
CID 1563
2-Hydroxydecanoic Acid
CID 21488
Hydroxylauric Acid
CID 97783
2-Hydroxyundecanoic acid
CID 5282899
(S)-2-hydroxydecanoic acid
CID 5312797
(R)-2-Hydroxyoctanoic acid
CID 5312860
2-Hydroxynonanoic acid
CID 5282897
2-Hydroxytridecanoic acid
CID 5282901
alpha-Hydroxy myristic acid
CID 656737
(2S)-2-hydroxyoctanoic acid
CID 6995013
2-Hydroxypentadecanoic acid
CID 5282903

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate (CID 91752569) is [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate is CCCCCCC(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate?
The InChIKey is UYMDSEGXUSBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h12,15H,7-11H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate?
[tert-butyl(dimethyl)silyl] 2-hydroxyoctanoate has a molecular weight of 274.48 g/mol, XLogP of 3.87, 7 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-hydroxyoctanoate is sourced from PubChem (CID 91752569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).