5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one

C17H34O2Si — CID 71333132

IUPAC5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one
SMILESCC=CC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-10-11-12-14-16(15(18)13-9-2)19-20(6,7)17(3,4)5/h9,13,16H,8,10-12,14H2,1-7H3
InChIKeyHTFBMTJAKVBYAS-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds9

About 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one

5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one (PubChem CID 71333132) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one
PubChem CID71333132
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one
SMILESCC=CC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-10-11-12-14-16(15(18)13-9-2)19-20(6,7)17(3,4)5/h9,13,16H,8,10-12,14H2,1-7H3
InChIKeyHTFBMTJAKVBYAS-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
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 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one (CID 71333132) is 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one is CC=CC(=O)C(CCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one?
The InChIKey is HTFBMTJAKVBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-10-11-12-14-16(15(18)13-9-2)19-20(6,7)17(3,4)5/h9,13,16H,8,10-12,14H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one?
5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyundec-2-en-4-one is sourced from PubChem (CID 71333132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).