6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid

C23H48O5Si2 — CID 58282926

IUPAC6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC(C)(C)C(CC)C(=O)O
InChIInChI=1S/C23H48O5Si2/c1-11-13-16-29(7,8)28-30(9,10)17-14-15-27-21(26)23(5,6)18-22(3,4)19(12-2)20(24)25/h19H,11-18H2,1-10H3,(H,24,25)
InChIKeyHBTCNGMBASTJKP-UHFFFAOYSA-N
MW460.80 g/mol
LogP6.70
Rot. Bonds15

About 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid

6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid (PubChem CID 58282926) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid
PubChem CID58282926
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC(C)(C)C(CC)C(=O)O
InChIInChI=1S/C23H48O5Si2/c1-11-13-16-29(7,8)28-30(9,10)17-14-15-27-21(26)23(5,6)18-22(3,4)19(12-2)20(24)25/h19H,11-18H2,1-10H3,(H,24,25)
InChIKeyHBTCNGMBASTJKP-UHFFFAOYSA-N
XLogP6.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 56.70
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 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid?
The IUPAC name of 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid (CID 58282926) is 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid.
What is the SMILES notation for 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid?
The canonical SMILES for 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid is CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC(C)(C)C(CC)C(=O)O.
What is the InChIKey of 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid?
The InChIKey is HBTCNGMBASTJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-11-13-16-29(7,8)28-30(9,10)17-14-15-27-21(26)23(5,6)18-22(3,4)19(12-2)20(24)25/h19H,11-18H2,1-10H3,(H,24,25).
What are the key properties of 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid?
6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid has a molecular weight of 460.80 g/mol, XLogP of 6.70, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-ethyl-3,3,5,5-tetramethyl-6-oxohexanoic acid is sourced from PubChem (CID 58282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).