3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid

C19H36O4Si — CID 173241406

IUPAC3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid
SMILESC=CC=CC(C)C(O)C(C)C(O[Si](C)(C)CCCC)C(C)C(=O)O
InChIInChI=1S/C19H36O4Si/c1-8-10-12-14(3)17(20)15(4)18(16(5)19(21)22)23-24(6,7)13-11-9-2/h8,10,12,14-18,20H,1,9,11,13H2,2-7H3,(H,21,22)
InChIKeyRXOAZITYNUFVBT-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.47
Rot. Bonds12

About 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid

3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid (PubChem CID 173241406) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid
PubChem CID173241406
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid
SMILESC=CC=CC(C)C(O)C(C)C(O[Si](C)(C)CCCC)C(C)C(=O)O
InChIInChI=1S/C19H36O4Si/c1-8-10-12-14(3)17(20)15(4)18(16(5)19(21)22)23-24(6,7)13-11-9-2/h8,10,12,14-18,20H,1,9,11,13H2,2-7H3,(H,21,22)
InChIKeyRXOAZITYNUFVBT-UHFFFAOYSA-N
XLogP4.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid (CID 173241406) is 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid is C=CC=CC(C)C(O)C(C)C(O[Si](C)(C)CCCC)C(C)C(=O)O.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid?
The InChIKey is RXOAZITYNUFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-8-10-12-14(3)17(20)15(4)18(16(5)19(21)22)23-24(6,7)13-11-9-2/h8,10,12,14-18,20H,1,9,11,13H2,2-7H3,(H,21,22).
What are the key properties of 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid?
3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid has a molecular weight of 356.58 g/mol, XLogP of 4.47, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6-trimethyldeca-7,9-dienoic acid is sourced from PubChem (CID 173241406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).