6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid

C12H24O4Si — CID 134916975

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C(=O)O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h6-9H2,1-5H3,(H,14,15)
InChIKeyOUZZRGXRNJJVLK-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.83
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid (PubChem CID 134916975) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
PubChem CID134916975
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C(=O)O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h6-9H2,1-5H3,(H,14,15)
InChIKeyOUZZRGXRNJJVLK-UHFFFAOYSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
2-[Tert-butyl(dimethyl)silyl]oxyhexanoic acid
CID 21665091
7-[Tert-butyl(dimethyl)silyl]oxy-2,4-dioxoheptanoic acid
CID 22246803
6-Triethoxysilylhexanoic acid
CID 85666552
4-Triethoxysilylhexanoic acid
CID 88314741
6-[Butyl(dimethyl)silyl]oxyhexanoic acid
CID 88690579
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
CID 139932065
2-Triethoxysilylhexanoic acid
CID 141402129
5-[Ethoxy(methyl)silyl]-2-oxooctanoic acid
CID 173265343
6-[Dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid
CID 101050777
3-(Triethoxysilyl)hexanedioic acid
CID 154307463

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid (CID 134916975) is 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid is CC(C)(C)[Si](C)(C)OCCCCC(=O)C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid?
The InChIKey is OUZZRGXRNJJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h6-9H2,1-5H3,(H,14,15).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid has a molecular weight of 260.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid is sourced from PubChem (CID 134916975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).