7-triethylsilyloxyheptan-2-one

C13H28O2Si — CID 18622732

IUPAC7-triethylsilyloxyheptan-2-one
SMILESCC[Si](CC)(CC)OCCCCCC(C)=O
InChIInChI=1S/C13H28O2Si/c1-5-16(6-2,7-3)15-12-10-8-9-11-13(4)14/h5-12H2,1-4H3
InChIKeyYGVUEAOEGWRWDT-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds10

About 7-triethylsilyloxyheptan-2-one

7-triethylsilyloxyheptan-2-one (PubChem CID 18622732) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 7-triethylsilyloxyheptan-2-one.

Molecular Properties

Compound Name7-triethylsilyloxyheptan-2-one
PubChem CID18622732
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name7-triethylsilyloxyheptan-2-one
SMILESCC[Si](CC)(CC)OCCCCCC(C)=O
InChIInChI=1S/C13H28O2Si/c1-5-16(6-2,7-3)15-12-10-8-9-11-13(4)14/h5-12H2,1-4H3
InChIKeyYGVUEAOEGWRWDT-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
17-methoxyheptadecan-2-one
CID 59530855
7-hexoxyheptan-2-one
CID 122428493
11-butoxyundecan-2-one
CID 175547866
9-(hydroxymethoxy)nonan-2-one
CID 171562629
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
nonatriacontan-2-one
CID 141365496
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of 7-triethylsilyloxyheptan-2-one?
The IUPAC name of 7-triethylsilyloxyheptan-2-one (CID 18622732) is 7-triethylsilyloxyheptan-2-one.
What is the SMILES notation for 7-triethylsilyloxyheptan-2-one?
The canonical SMILES for 7-triethylsilyloxyheptan-2-one is CC[Si](CC)(CC)OCCCCCC(C)=O.
What is the InChIKey of 7-triethylsilyloxyheptan-2-one?
The InChIKey is YGVUEAOEGWRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-16(6-2,7-3)15-12-10-8-9-11-13(4)14/h5-12H2,1-4H3.
What are the key properties of 7-triethylsilyloxyheptan-2-one?
7-triethylsilyloxyheptan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilyloxyheptan-2-one is sourced from PubChem (CID 18622732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).