methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate

C12H26O4Si — CID 14321488

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
SMILESCOC(=O)C(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h10,13H,7-9H2,1-6H3
InChIKeyBSQHYTUDRORAJY-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds6

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate (PubChem CID 14321488) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
PubChem CID14321488
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
SMILESCOC(=O)C(O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h10,13H,7-9H2,1-6H3
InChIKeyBSQHYTUDRORAJY-UHFFFAOYSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate (CID 14321488) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate is COC(=O)C(O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The InChIKey is BSQHYTUDRORAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-12(2,3)17(5,6)16-9-7-8-10(13)11(14)15-4/h10,13H,7-9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate has a molecular weight of 262.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate is sourced from PubChem (CID 14321488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).