4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one

C15H30O2Si — CID 135079241

IUPAC4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
SMILESC=CC(=O)C(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-11-12-14(13(16)9-2)17-18(6,7)15(3,4)5/h9,14H,2,8,10-12H2,1,3-7H3
InChIKeyUQFLBMSOTGURBH-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one

4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one (PubChem CID 135079241) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
PubChem CID135079241
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
SMILESC=CC(=O)C(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-11-12-14(13(16)9-2)17-18(6,7)15(3,4)5/h9,14H,2,8,10-12H2,1,3-7H3
InChIKeyUQFLBMSOTGURBH-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
CID 102100733
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
4-Trimethylsilyloxynon-1-ene-1,3-dione
CID 140331107
4-Trimethylsilyloxydec-1-ene-1,3-dione
CID 140331115
4-Trimethylsilyloxydec-1-ene-1,9-dione
CID 140333709
3-Trimethylsilyloxydec-1-ene-1,4-dione
CID 140333780
6-[Tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
CID 147337646
6-[Ethyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
CID 161815156
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977
4-[Methoxy(dimethyl)silyl]oxyhept-1-en-3-one
CID 175902043

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one (CID 135079241) is 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one is C=CC(=O)C(CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one?
The InChIKey is UQFLBMSOTGURBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-10-11-12-14(13(16)9-2)17-18(6,7)15(3,4)5/h9,14H,2,8,10-12H2,1,3-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one?
4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one has a molecular weight of 270.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxynon-1-en-3-one is sourced from PubChem (CID 135079241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).