(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal

C17H34O2Si — CID 10913560

IUPAC(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal
SMILESCCCCC[C@H](C/C=C(\C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h12,14,16H,8-11,13H2,1-7H3/b15-12+/t16-/m1/s1
InChIKeyMLSAPJPRTMZGCH-ASNKMWSDSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds9

About (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal (PubChem CID 10913560) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal.

Molecular Properties

Compound Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal
PubChem CID10913560
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal
SMILESCCCCC[C@H](C/C=C(\C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h12,14,16H,8-11,13H2,1-7H3/b15-12+/t16-/m1/s1
InChIKeyMLSAPJPRTMZGCH-ASNKMWSDSA-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': '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,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal?
The IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal (CID 10913560) is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal.
What is the SMILES notation for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal?
The canonical SMILES for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal is CCCCC[C@H](C/C=C(\C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal?
The InChIKey is MLSAPJPRTMZGCH-ASNKMWSDSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h12,14,16H,8-11,13H2,1-7H3/b15-12+/t16-/m1/s1.
What are the key properties of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal?
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal 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 (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-2-enal is sourced from PubChem (CID 10913560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).