(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal

C17H34O2Si — CID 10614049

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C=O
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18/h11,13,15H,6-10,12,14,16H2,1-5H3/b13-11+
InChIKeyJHIJEQPANWRDRX-ACCUITESSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds11

About (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal

(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal (PubChem CID 10614049) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
PubChem CID10614049
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C=O
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18/h11,13,15H,6-10,12,14,16H2,1-5H3/b13-11+
InChIKeyJHIJEQPANWRDRX-ACCUITESSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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': 'aldehyde', 'substructure': 'N/A'}, {'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)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal (CID 10614049) is (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal is CC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/C=O.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The InChIKey is JHIJEQPANWRDRX-ACCUITESSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18/h11,13,15H,6-10,12,14,16H2,1-5H3/b13-11+.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal has a molecular weight of 298.54 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enal is sourced from PubChem (CID 10614049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).