8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid

C20H42O4Si — CID 22033567

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid
SMILESCCCCCCC(C(=O)O)C(O)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-7-8-9-11-14-17(19(22)23)18(21)15-12-10-13-16-24-25(5,6)20(2,3)4/h17-18,21H,7-16H2,1-6H3,(H,22,23)
InChIKeyCFISCCKEXBOEKH-UHFFFAOYSA-N
MW374.64 g/mol
LogP5.60
Rot. Bonds14

About 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid

8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid (PubChem CID 22033567) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid
PubChem CID22033567
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid
SMILESCCCCCCC(C(=O)O)C(O)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-7-8-9-11-14-17(19(22)23)18(21)15-12-10-13-16-24-25(5,6)20(2,3)4/h17-18,21H,7-16H2,1-6H3,(H,22,23)
InChIKeyCFISCCKEXBOEKH-UHFFFAOYSA-N
XLogP5.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.60
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid (CID 22033567) is 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid is CCCCCCC(C(=O)O)C(O)CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid?
The InChIKey is CFISCCKEXBOEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-7-8-9-11-14-17(19(22)23)18(21)15-12-10-13-16-24-25(5,6)20(2,3)4/h17-18,21H,7-16H2,1-6H3,(H,22,23).
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid?
8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid has a molecular weight of 374.64 g/mol, XLogP of 5.60, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyoctanoic acid is sourced from PubChem (CID 22033567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).