trimethylsilyl 2-hydroxyoctanoate

C11H24O3Si — CID 91696381

IUPACtrimethylsilyl 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyREUUJTAEHKPPNH-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.70
Rot. Bonds7

About trimethylsilyl 2-hydroxyoctanoate

trimethylsilyl 2-hydroxyoctanoate (PubChem CID 91696381) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is trimethylsilyl 2-hydroxyoctanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-hydroxyoctanoate
PubChem CID91696381
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Nametrimethylsilyl 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyREUUJTAEHKPPNH-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.70
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-Hydroxyhexadecanoic acid
CID 92836
2-Hydroxystearic acid
CID 69417
2S-hydroxypalmitic acid
CID 12575964
(S)-2-hydroxystearic acid
CID 439887
2-Hydroxyundecanoic acid
CID 5282899
2-Hydroxytetracosanoic acid
CID 102430
2-Hydroxydecanedioic acid
CID 128458
(2R)-2-hydroxyoctadecanoic acid
CID 439885

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-hydroxyoctanoate?
The IUPAC name of trimethylsilyl 2-hydroxyoctanoate (CID 91696381) is trimethylsilyl 2-hydroxyoctanoate.
What is the SMILES notation for trimethylsilyl 2-hydroxyoctanoate?
The canonical SMILES for trimethylsilyl 2-hydroxyoctanoate is CCCCCCC(O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-hydroxyoctanoate?
The InChIKey is REUUJTAEHKPPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of trimethylsilyl 2-hydroxyoctanoate?
trimethylsilyl 2-hydroxyoctanoate has a molecular weight of 232.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-hydroxyoctanoate is sourced from PubChem (CID 91696381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).