(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide

C51H105NO4Si3 — CID 91746019

IUPAC(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide
SMILESCCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(NC(=O)C(/C=C/CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C51H105NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48(54-57(3,4)5)50(53)52-51(56-59(9,10)11)49(55-58(6,7)8)47-45-43-41-39-37-34-25-23-21-19-17-15-13-2/h44-49,51H,12-43H2,1-11H3,(H,52,53)/b46-44+,47-45+
InChIKeySMHPFNXDWZTDKU-NFAUJPPVSA-N
MW880.66 g/mol
LogP17.36
Rot. Bonds43

About (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide

(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide (PubChem CID 91746019) has the molecular formula C51H105NO4Si3 and a molecular weight of 880.66 g/mol. Its IUPAC name is (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide
PubChem CID91746019
Molecular FormulaC51H105NO4Si3
Molecular Weight880.66 g/mol
Exact Mass879.74
IUPAC Name(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide
SMILESCCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(NC(=O)C(/C=C/CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C51H105NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48(54-57(3,4)5)50(53)52-51(56-59(9,10)11)49(55-58(6,7)8)47-45-43-41-39-37-34-25-23-21-19-17-15-13-2/h44-49,51H,12-43H2,1-11H3,(H,52,53)/b46-44+,47-45+
InChIKeySMHPFNXDWZTDKU-NFAUJPPVSA-N
XLogP17.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds43
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.66
LogP ≤ 517.36
H-Bond Donors ≤ 51
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine
CID 10950043
methyl (E,2R)-2-acetyloxyhexadec-3-enoate
CID 102491537
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
CID 11057009
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
[(E,2R,3S)-1-hydroxy-2-(octadecanoylamino)octadec-4-en-3-yl] acetate
CID 10579584
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-methylpropanamide
CID 118218148
methyl (Z)-8-hydroperoxyoctadec-9-enoate
CID 13357351
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
CID 167219709
N-[(E,1R,2R)-2-hydroxy-1-methoxynonadec-3-enyl]docosanamide
CID 126456785

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide?
The IUPAC name of (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide (CID 91746019) is (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide.
What is the SMILES notation for (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide?
The canonical SMILES for (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide is CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(NC(=O)C(/C=C/CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide?
The InChIKey is SMHPFNXDWZTDKU-NFAUJPPVSA-N. The full InChI is InChI=1S/C51H105NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48(54-57(3,4)5)50(53)52-51(56-59(9,10)11)49(55-58(6,7)8)47-45-43-41-39-37-34-25-23-21-19-17-15-13-2/h44-49,51H,12-43H2,1-11H3,(H,52,53)/b46-44+,47-45+.
What are the key properties of (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide?
(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide has a molecular weight of 880.66 g/mol, XLogP of 17.36, 43 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide is sourced from PubChem (CID 91746019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).