(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

C26H42O3Si — CID 10993704

IUPAC(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O)[C@H](C)O
InChIInChI=1S/C26H42O3Si/c1-22(20-18-16-14-12-10-9-11-13-15-17-19-21-27)25(23(2)24(3)28)29-30(7,8)26(4,5)6/h9-25,28H,1-8H3/b11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t22-,23-,24-,25+/m0/s1
InChIKeyLDVHUCSEQHYNMG-AGEBFRQLSA-N
MW430.71 g/mol
LogP6.57
Rot. Bonds12

About (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (PubChem CID 10993704) has the molecular formula C26H42O3Si and a molecular weight of 430.71 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
PubChem CID10993704
Molecular FormulaC26H42O3Si
Molecular Weight430.71 g/mol
Exact Mass430.29
IUPAC Name(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O)[C@H](C)O
InChIInChI=1S/C26H42O3Si/c1-22(20-18-16-14-12-10-9-11-13-15-17-19-21-27)25(23(2)24(3)28)29-30(7,8)26(4,5)6/h9-25,28H,1-8H3/b11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t22-,23-,24-,25+/m0/s1
InChIKeyLDVHUCSEQHYNMG-AGEBFRQLSA-N
XLogP6.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal with MolForge

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Related Compounds

(2E,4E,6E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylundeca-2,4,6-trienal
CID 11370282
(2E,4E,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methylundeca-2,4-dienal
CID 11416156
(2E,4E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methylundeca-2,4-dienal
CID 15467057
(E,4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-enal
CID 16732549
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
CID 24886641
(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
CID 101481777
(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-14,16-dimethyl-17-triethylsilyloxyoctadeca-2,4,6,8,10,12-hexaenal
CID 134970409
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
CID 135015019
(2S,3S,4S,5Z)-2,4-dimethyl-3-triethylsilyloxyocta-5,7-dien-1-ol
CID 88062242
(2E,4E,6S,7S,8R,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyltetradeca-2,4,10,12-tetraenal
CID 170547678
(2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienal
CID 170547680
(2E,4E,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyltetradeca-2,4,10,12-tetraenal
CID 174201679

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (CID 10993704) is (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O)[C@H](C)O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The InChIKey is LDVHUCSEQHYNMG-AGEBFRQLSA-N. The full InChI is InChI=1S/C26H42O3Si/c1-22(20-18-16-14-12-10-9-11-13-15-17-19-21-27)25(23(2)24(3)28)29-30(7,8)26(4,5)6/h9-25,28H,1-8H3/b11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t22-,23-,24-,25+/m0/s1.
What are the key properties of (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal has a molecular weight of 430.71 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is sourced from PubChem (CID 10993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).