(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione

C15H28O2Si — CID 135075185

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione
SMILESCCC/C=C/C(=O)CCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-10-13(16)11-12-14(17)18(5,6)15(2,3)4/h9-10H,7-8,11-12H2,1-6H3/b10-9+
InChIKeyBPRZYCVQNRLCTA-MDZDMXLPSA-N
MW268.47 g/mol
LogP4.31
Rot. Bonds7

About (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione

(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione (PubChem CID 135075185) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione
PubChem CID135075185
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione
SMILESCCC/C=C/C(=O)CCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-10-13(16)11-12-14(17)18(5,6)15(2,3)4/h9-10H,7-8,11-12H2,1-6H3/b10-9+
InChIKeyBPRZYCVQNRLCTA-MDZDMXLPSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione (CID 135075185) is (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione is CCC/C=C/C(=O)CCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione?
The InChIKey is BPRZYCVQNRLCTA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-9-10-13(16)11-12-14(17)18(5,6)15(2,3)4/h9-10H,7-8,11-12H2,1-6H3/b10-9+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione?
(E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione has a molecular weight of 268.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]non-5-ene-1,4-dione is sourced from PubChem (CID 135075185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).