(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol

C24H41NO2Si — CID 102186696

IUPAC(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol
SMILESCC/C(C)=C(/C/C=C/CC(CCCCO)Nc1ccc(OC)cc1)[Si](C)(C)C
InChIInChI=1S/C24H41NO2Si/c1-7-20(2)24(28(4,5)6)14-9-8-12-21(13-10-11-19-26)25-22-15-17-23(27-3)18-16-22/h8-9,15-18,21,25-26H,7,10-14,19H2,1-6H3/b9-8+,24-20-
InChIKeyIZTUIXCWFJTERQ-BTFPLGGSSA-N
MW403.68 g/mol
LogP6.58
Rot. Bonds13

About (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol

(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol (PubChem CID 102186696) has the molecular formula C24H41NO2Si and a molecular weight of 403.68 g/mol. Its IUPAC name is (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol.

Molecular Properties

Compound Name(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol
PubChem CID102186696
Molecular FormulaC24H41NO2Si
Molecular Weight403.68 g/mol
Exact Mass403.29
IUPAC Name(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol
SMILESCC/C(C)=C(/C/C=C/CC(CCCCO)Nc1ccc(OC)cc1)[Si](C)(C)C
InChIInChI=1S/C24H41NO2Si/c1-7-20(2)24(28(4,5)6)14-9-8-12-21(13-10-11-19-26)25-22-15-17-23(27-3)18-16-22/h8-9,15-18,21,25-26H,7,10-14,19H2,1-6H3/b9-8+,24-20-
InChIKeyIZTUIXCWFJTERQ-BTFPLGGSSA-N
XLogP6.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.68
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(3E)-7-methyl-1-phenyl-6-trimethylsilylocta-3,6-dienyl]aniline
CID 102186692
5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
CID 102336379
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
(2S,3R)-2-butyl-3-(4-methoxyanilino)octan-1-ol
CID 11415574
4-anilinohept-6-en-1-ol
CID 11564698
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433

Frequently Asked Questions

What is the IUPAC name of (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol?
The IUPAC name of (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol (CID 102186696) is (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol.
What is the SMILES notation for (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol?
The canonical SMILES for (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol is CC/C(C)=C(/C/C=C/CC(CCCCO)Nc1ccc(OC)cc1)[Si](C)(C)C.
What is the InChIKey of (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol?
The InChIKey is IZTUIXCWFJTERQ-BTFPLGGSSA-N. The full InChI is InChI=1S/C24H41NO2Si/c1-7-20(2)24(28(4,5)6)14-9-8-12-21(13-10-11-19-26)25-22-15-17-23(27-3)18-16-22/h8-9,15-18,21,25-26H,7,10-14,19H2,1-6H3/b9-8+,24-20-.
What are the key properties of (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol?
(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol has a molecular weight of 403.68 g/mol, XLogP of 6.58, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol is sourced from PubChem (CID 102186696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).