(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one

C15H30O2Si — CID 86668696

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one
SMILESCCCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-12-14(16)13(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/b12-11+/t13-/m0/s1
InChIKeyFGZBSQIUHSRZHM-YLSINNKHSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds7

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one (PubChem CID 86668696) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one
PubChem CID86668696
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one
SMILESCCCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-12-14(16)13(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/b12-11+/t13-/m0/s1
InChIKeyFGZBSQIUHSRZHM-YLSINNKHSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one (CID 86668696) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one is CCCC/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one?
The InChIKey is FGZBSQIUHSRZHM-YLSINNKHSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-9-10-11-12-14(16)13(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/b12-11+/t13-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one has a molecular weight of 270.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxynon-4-en-3-one is sourced from PubChem (CID 86668696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).