5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one

C13H28O2Si — CID 122214304

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one
SMILESCC(=O)CCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(14)9-10-13(5,6)15-16(7,8)12(2,3)4/h9-10H2,1-8H3
InChIKeyBKQIFNQRGDFSLR-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one

5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one (PubChem CID 122214304) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one
PubChem CID122214304
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one
SMILESCC(=O)CCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(14)9-10-13(5,6)15-16(7,8)12(2,3)4/h9-10H2,1-8H3
InChIKeyBKQIFNQRGDFSLR-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one (CID 122214304) is 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one is CC(=O)CCC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one?
The InChIKey is BKQIFNQRGDFSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(14)9-10-13(5,6)15-16(7,8)12(2,3)4/h9-10H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexan-2-one is sourced from PubChem (CID 122214304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).