2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate

C27H54N2O3Si — CID 88536969

IUPAC2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate
SMILESCCCCCCC/C=C/CCCCCCC(=O)NCCCCC(N)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C27H54N2O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(30)29-22-19-18-20-25(28)27(31)32-23-24-33(2,3)4/h11-12,25H,5-10,13-24,28H2,1-4H3,(H,29,30)/b12-11+
InChIKeyHCQFOJYVEJQGHR-VAWYXSNFSA-N
MW482.83 g/mol
LogP6.74
Rot. Bonds22

About 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate

2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate (PubChem CID 88536969) has the molecular formula C27H54N2O3Si and a molecular weight of 482.83 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate
PubChem CID88536969
Molecular FormulaC27H54N2O3Si
Molecular Weight482.83 g/mol
Exact Mass482.39
IUPAC Name2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate
SMILESCCCCCCC/C=C/CCCCCCC(=O)NCCCCC(N)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C27H54N2O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(30)29-22-19-18-20-25(28)27(31)32-23-24-33(2,3)4/h11-12,25H,5-10,13-24,28H2,1-4H3,(H,29,30)/b12-11+
InChIKeyHCQFOJYVEJQGHR-VAWYXSNFSA-N
XLogP6.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate with MolForge

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Related Compounds

decyl (2S)-2-amino-6-(octadecanoylamino)hexanoate
CID 54276996
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate?
The IUPAC name of 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate (CID 88536969) is 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate is CCCCCCC/C=C/CCCCCCC(=O)NCCCCC(N)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate?
The InChIKey is HCQFOJYVEJQGHR-VAWYXSNFSA-N. The full InChI is InChI=1S/C27H54N2O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(30)29-22-19-18-20-25(28)27(31)32-23-24-33(2,3)4/h11-12,25H,5-10,13-24,28H2,1-4H3,(H,29,30)/b12-11+.
What are the key properties of 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate?
2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate has a molecular weight of 482.83 g/mol, XLogP of 6.74, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate is sourced from PubChem (CID 88536969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).