(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal

C17H34O2Si — CID 11087843

IUPAC(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
SMILESCCCC[C@@H](CCC/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-13-16(14-11-9-10-12-15-18)19-20(5,6)17(2,3)4/h10,12,15-16H,7-9,11,13-14H2,1-6H3/b12-10+/t16-/m0/s1
InChIKeyIYEUKVFDWYMGLR-TYZQSYOASA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds10

About (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal

(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal (PubChem CID 11087843) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal.

Molecular Properties

Compound Name(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
PubChem CID11087843
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal
SMILESCCCC[C@@H](CCC/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-7-8-13-16(14-11-9-10-12-15-18)19-20(5,6)17(2,3)4/h10,12,15-16H,7-9,11,13-14H2,1-6H3/b12-10+/t16-/m0/s1
InChIKeyIYEUKVFDWYMGLR-TYZQSYOASA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The IUPAC name of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal (CID 11087843) is (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal.
What is the SMILES notation for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The canonical SMILES for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal is CCCC[C@@H](CCC/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
The InChIKey is IYEUKVFDWYMGLR-TYZQSYOASA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-8-13-16(14-11-9-10-12-15-18)19-20(5,6)17(2,3)4/h10,12,15-16H,7-9,11,13-14H2,1-6H3/b12-10+/t16-/m0/s1.
What are the key properties of (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal?
(E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal has a molecular weight of 298.54 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-7-[tert-butyl(dimethyl)silyl]oxyundec-2-enal is sourced from PubChem (CID 11087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).