3-triethylsilyloxyoct-7-en-2-one

C14H28O2Si — CID 135036851

IUPAC3-triethylsilyloxyoct-7-en-2-one
SMILESC=CCCCC(O[Si](CC)(CC)CC)C(C)=O
InChIInChI=1S/C14H28O2Si/c1-6-10-11-12-14(13(5)15)16-17(7-2,8-3)9-4/h6,14H,1,7-12H2,2-5H3
InChIKeyJGYPVWRUKYVSRT-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds10

About 3-triethylsilyloxyoct-7-en-2-one

3-triethylsilyloxyoct-7-en-2-one (PubChem CID 135036851) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-triethylsilyloxyoct-7-en-2-one.

Molecular Properties

Compound Name3-triethylsilyloxyoct-7-en-2-one
PubChem CID135036851
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-triethylsilyloxyoct-7-en-2-one
SMILESC=CCCCC(O[Si](CC)(CC)CC)C(C)=O
InChIInChI=1S/C14H28O2Si/c1-6-10-11-12-14(13(5)15)16-17(7-2,8-3)9-4/h6,14H,1,7-12H2,2-5H3
InChIKeyJGYPVWRUKYVSRT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,5S)-7-trimethylsilyl-5-trimethylsilyloxyhept-6-en-2-one
CID 134967368
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
4-[Tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
CID 135079241
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
CID 10561359
(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one
CID 58012760
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one
CID 58420718
7-Triethylsilyloxycyclohept-2-en-1-one
CID 139985497
4-Triethylsilyloxyhept-1-ene-1,3-dione
CID 140330503
3-Trimethylsilyloxynon-1-ene-1,4-dione
CID 140333670
3-Trimethylsilyloxyhept-1-ene-1,4-dione
CID 140333684
6-[Tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
CID 10245032

Frequently Asked Questions

What is the IUPAC name of 3-triethylsilyloxyoct-7-en-2-one?
The IUPAC name of 3-triethylsilyloxyoct-7-en-2-one (CID 135036851) is 3-triethylsilyloxyoct-7-en-2-one.
What is the SMILES notation for 3-triethylsilyloxyoct-7-en-2-one?
The canonical SMILES for 3-triethylsilyloxyoct-7-en-2-one is C=CCCCC(O[Si](CC)(CC)CC)C(C)=O.
What is the InChIKey of 3-triethylsilyloxyoct-7-en-2-one?
The InChIKey is JGYPVWRUKYVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-10-11-12-14(13(5)15)16-17(7-2,8-3)9-4/h6,14H,1,7-12H2,2-5H3.
What are the key properties of 3-triethylsilyloxyoct-7-en-2-one?
3-triethylsilyloxyoct-7-en-2-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilyloxyoct-7-en-2-one is sourced from PubChem (CID 135036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).