(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal

C34H56O4Si — CID 11103666

IUPAC(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal
SMILESCC[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C34H56O4Si/c1-12-27(7)33(37-24-31-16-18-32(36-11)19-17-31)28(8)20-25(5)21-29(9)34(30(10)22-26(6)23-35)38-39(13-2,14-3)15-4/h16-23,27-28,30,33-34H,12-15,24H2,1-11H3/b25-20+,26-22+,29-21+/t27-,28-,30+,33+,34+/m0/s1
InChIKeyLZXIPCBDWGGUEW-HZCPKNIISA-N
MW556.90 g/mol
LogP9.33
Rot. Bonds18

About (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal

(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal (PubChem CID 11103666) has the molecular formula C34H56O4Si and a molecular weight of 556.90 g/mol. Its IUPAC name is (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal.

Molecular Properties

Compound Name(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal
PubChem CID11103666
Molecular FormulaC34H56O4Si
Molecular Weight556.90 g/mol
Exact Mass556.39
IUPAC Name(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal
SMILESCC[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C34H56O4Si/c1-12-27(7)33(37-24-31-16-18-32(36-11)19-17-31)28(8)20-25(5)21-29(9)34(30(10)22-26(6)23-35)38-39(13-2,14-3)15-4/h16-23,27-28,30,33-34H,12-15,24H2,1-11H3/b25-20+,26-22+,29-21+/t27-,28-,30+,33+,34+/m0/s1
InChIKeyLZXIPCBDWGGUEW-HZCPKNIISA-N
XLogP9.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.90
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal with MolForge

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Related Compounds

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(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
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(2S,3R,4R)-4-[(2E,4R,5R,6E,8E,10S,11R,12S)-11-acetyloxy-2,4,6,8,10,12-hexamethyl-5-triphenylsilyloxydocosa-2,6,8-trienoyl]oxy-2,3,5-tris[(4-methoxyphenyl)methoxy]pentanoic acid
CID 10996868
(3S,4R,5S,6R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]-6-methyl-4-triethylsilyloxyhept-1-en-3-ol
CID 10672851
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(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
CID 10895412
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(E,4S,5S)-5-[(4-methoxyphenyl)methoxy]-4,6-dimethylhept-2-enal
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Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal?
The IUPAC name of (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal (CID 11103666) is (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal.
What is the SMILES notation for (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal?
The canonical SMILES for (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal is CC[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O.
What is the InChIKey of (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal?
The InChIKey is LZXIPCBDWGGUEW-HZCPKNIISA-N. The full InChI is InChI=1S/C34H56O4Si/c1-12-27(7)33(37-24-31-16-18-32(36-11)19-17-31)28(8)20-25(5)21-29(9)34(30(10)22-26(6)23-35)38-39(13-2,14-3)15-4/h16-23,27-28,30,33-34H,12-15,24H2,1-11H3/b25-20+,26-22+,29-21+/t27-,28-,30+,33+,34+/m0/s1.
What are the key properties of (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal?
(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal has a molecular weight of 556.90 g/mol, XLogP of 9.33, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal is sourced from PubChem (CID 11103666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).