5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid

C16H32O3Si — CID 154464377

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
SMILESC=CCC(C)C(CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-13(2)14(11-9-12-15(17)18)19-20(6,7)16(3,4)5/h8,13-14H,1,9-12H2,2-7H3,(H,17,18)
InChIKeyJMSWZVYODXKKBZ-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.84
Rot. Bonds9

About 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid

5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid (PubChem CID 154464377) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
PubChem CID154464377
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
SMILESC=CCC(C)C(CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-13(2)14(11-9-12-15(17)18)19-20(6,7)16(3,4)5/h8,13-14H,1,9-12H2,2-7H3,(H,17,18)
InChIKeyJMSWZVYODXKKBZ-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid (CID 154464377) is 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid is C=CCC(C)C(CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid?
The InChIKey is JMSWZVYODXKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-10-13(2)14(11-9-12-15(17)18)19-20(6,7)16(3,4)5/h8,13-14H,1,9-12H2,2-7H3,(H,17,18).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid?
5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid has a molecular weight of 300.52 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid is sourced from PubChem (CID 154464377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).