(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide

C55H93NO4Si — CID 11051164

IUPAC(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide
SMILESCCCCCCCCCCCCCC/C=C/[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H]1COC(C)(C)O[C@@H]1CCCCCCCCCCCCCCC
InChIInChI=1S/C55H93NO4Si/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-40-46-52(60-61(54(3,4)5,48-41-35-33-36-42-48)49-43-37-34-38-44-49)53(57)56-50-47-58-55(6,7)59-51(50)45-39-31-29-27-25-23-21-19-17-15-13-11-9-2/h33-38,40-44,46,50-52H,8-32,39,45,47H2,1-7H3,(H,56,57)/b46-40+/t50-,51+,52+/m0/s1
InChIKeyRDHMOSARACHUJO-IFPSRWIJSA-N
MW860.44 g/mol
LogP14.70
Rot. Bonds34

About (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide

(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide (PubChem CID 11051164) has the molecular formula C55H93NO4Si and a molecular weight of 860.44 g/mol. Its IUPAC name is (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide.

Molecular Properties

Compound Name(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide
PubChem CID11051164
Molecular FormulaC55H93NO4Si
Molecular Weight860.44 g/mol
Exact Mass859.69
IUPAC Name(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide
SMILESCCCCCCCCCCCCCC/C=C/[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H]1COC(C)(C)O[C@@H]1CCCCCCCCCCCCCCC
InChIInChI=1S/C55H93NO4Si/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-40-46-52(60-61(54(3,4)5,48-41-35-33-36-42-48)49-43-37-34-38-44-49)53(57)56-50-47-58-55(6,7)59-51(50)45-39-31-29-27-25-23-21-19-17-15-13-11-9-2/h33-38,40-44,46,50-52H,8-32,39,45,47H2,1-7H3,(H,56,57)/b46-40+/t50-,51+,52+/m0/s1
InChIKeyRDHMOSARACHUJO-IFPSRWIJSA-N
XLogP14.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.44
LogP ≤ 514.70
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-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

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]-2,2,2-trifluoroacetamide
CID 90339286
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide
CID 12043091
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide
CID 60066191
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-(6-methylpentadeca-1,5-dienyl)-1,3-dioxan-5-yl]hexadecanamide
CID 91248120
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]acetamide
CID 147924437
N-[(3aR,4R,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
CID 176735012
(2R)-N-[(2S,3R,4E,8E)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
CID 10876495
N-[(3aR,4R,6R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
CID 11555472
[30-[[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-2-yl]amino]-30-oxotriacontyl] acetate
CID 71619943
30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide
CID 101265848

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide?
The IUPAC name of (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide (CID 11051164) is (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide.
What is the SMILES notation for (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide?
The canonical SMILES for (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide is CCCCCCCCCCCCCC/C=C/[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H]1COC(C)(C)O[C@@H]1CCCCCCCCCCCCCCC.
What is the InChIKey of (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide?
The InChIKey is RDHMOSARACHUJO-IFPSRWIJSA-N. The full InChI is InChI=1S/C55H93NO4Si/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-40-46-52(60-61(54(3,4)5,48-41-35-33-36-42-48)49-43-37-34-38-44-49)53(57)56-50-47-58-55(6,7)59-51(50)45-39-31-29-27-25-23-21-19-17-15-13-11-9-2/h33-38,40-44,46,50-52H,8-32,39,45,47H2,1-7H3,(H,56,57)/b46-40+/t50-,51+,52+/m0/s1.
What are the key properties of (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide?
(E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide has a molecular weight of 860.44 g/mol, XLogP of 14.70, 34 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4R,5S)-2,2-dimethyl-4-pentadecyl-1,3-dioxan-5-yl]octadec-3-enamide is sourced from PubChem (CID 11051164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).