(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one

C15H29BrO2Si — CID 11759859

IUPAC(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrO2Si/c1-12(17)9-8-10-14(16)11-13(2)18-19(6,7)15(3,4)5/h10,13H,8-9,11H2,1-7H3/b14-10-
InChIKeyYTLJNPXTEVGJJS-UVTDQMKNSA-N
MW349.39 g/mol
LogP5.43
Rot. Bonds7

About (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one

(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one (PubChem CID 11759859) has the molecular formula C15H29BrO2Si and a molecular weight of 349.39 g/mol. Its IUPAC name is (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one.

Molecular Properties

Compound Name(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one
PubChem CID11759859
Molecular FormulaC15H29BrO2Si
Molecular Weight349.39 g/mol
Exact Mass348.11
IUPAC Name(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrO2Si/c1-12(17)9-8-10-14(16)11-13(2)18-19(6,7)15(3,4)5/h10,13H,8-9,11H2,1-7H3/b14-10-
InChIKeyYTLJNPXTEVGJJS-UVTDQMKNSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.43
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 (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one?
The IUPAC name of (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one (CID 11759859) is (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one.
What is the SMILES notation for (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one?
The canonical SMILES for (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one is CC(=O)CC/C=C(\Br)CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one?
The InChIKey is YTLJNPXTEVGJJS-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H29BrO2Si/c1-12(17)9-8-10-14(16)11-13(2)18-19(6,7)15(3,4)5/h10,13H,8-9,11H2,1-7H3/b14-10-.
What are the key properties of (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one?
(Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one has a molecular weight of 349.39 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-8-[tert-butyl(dimethyl)silyl]oxynon-5-en-2-one is sourced from PubChem (CID 11759859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).