(3S)-5-methyl-3-triethylsilyloxyhexan-2-one

C13H28O2Si — CID 134835603

IUPAC(3S)-5-methyl-3-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)C)C(C)=O
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(12(6)14)10-11(4)5/h11,13H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyZZCQIIIZJXDWQU-ZDUSSCGKSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds8

About (3S)-5-methyl-3-triethylsilyloxyhexan-2-one

(3S)-5-methyl-3-triethylsilyloxyhexan-2-one (PubChem CID 134835603) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3S)-5-methyl-3-triethylsilyloxyhexan-2-one.

Molecular Properties

Compound Name(3S)-5-methyl-3-triethylsilyloxyhexan-2-one
PubChem CID134835603
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3S)-5-methyl-3-triethylsilyloxyhexan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)C)C(C)=O
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(12(6)14)10-11(4)5/h11,13H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyZZCQIIIZJXDWQU-ZDUSSCGKSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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 (3S)-5-methyl-3-triethylsilyloxyhexan-2-one?
The IUPAC name of (3S)-5-methyl-3-triethylsilyloxyhexan-2-one (CID 134835603) is (3S)-5-methyl-3-triethylsilyloxyhexan-2-one.
What is the SMILES notation for (3S)-5-methyl-3-triethylsilyloxyhexan-2-one?
The canonical SMILES for (3S)-5-methyl-3-triethylsilyloxyhexan-2-one is CC[Si](CC)(CC)O[C@@H](CC(C)C)C(C)=O.
What is the InChIKey of (3S)-5-methyl-3-triethylsilyloxyhexan-2-one?
The InChIKey is ZZCQIIIZJXDWQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(12(6)14)10-11(4)5/h11,13H,7-10H2,1-6H3/t13-/m0/s1.
What are the key properties of (3S)-5-methyl-3-triethylsilyloxyhexan-2-one?
(3S)-5-methyl-3-triethylsilyloxyhexan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-triethylsilyloxyhexan-2-one is sourced from PubChem (CID 134835603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).