(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide

C64H129NO4Si3 — CID 11205448

IUPAC(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide
SMILESCCCCCCCCCC[C@@H]1C[C@@H]1CCCC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCC[C@H]1C[C@H]1CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C64H129NO4Si3/c1-18-20-22-24-26-28-33-39-45-54-51-56(54)47-41-35-30-31-37-44-50-60(69-72(16,17)64(9,10)11)61(66)65-58(53-67-70(12,13)62(3,4)5)59(68-71(14,15)63(6,7)8)49-43-38-32-36-42-48-57-52-55(57)46-40-34-29-27-25-23-21-19-2/h31,37,54-60H,18-30,32-36,38-53H2,1-17H3,(H,65,66)/b37-31-/t54-,55-,56+,57+,58+,59-,60-/m1/s1
InChIKeyXVJPEUGBTBINFP-SQAWWCQLSA-N
MW1061.00 g/mol
LogP21.24
Rot. Bonds44

About (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide

(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide (PubChem CID 11205448) has the molecular formula C64H129NO4Si3 and a molecular weight of 1061.00 g/mol. Its IUPAC name is (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide.

Molecular Properties

Compound Name(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide
PubChem CID11205448
Molecular FormulaC64H129NO4Si3
Molecular Weight1061.00 g/mol
Exact Mass1059.92
IUPAC Name(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide
SMILESCCCCCCCCCC[C@@H]1C[C@@H]1CCCC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCC[C@H]1C[C@H]1CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C64H129NO4Si3/c1-18-20-22-24-26-28-33-39-45-54-51-56(54)47-41-35-30-31-37-44-50-60(69-72(16,17)64(9,10)11)61(66)65-58(53-67-70(12,13)62(3,4)5)59(68-71(14,15)63(6,7)8)49-43-38-32-36-42-48-57-52-55(57)46-40-34-29-27-25-23-21-19-2/h31,37,54-60H,18-30,32-36,38-53H2,1-17H3,(H,65,66)/b37-31-/t54-,55-,56+,57+,58+,59-,60-/m1/s1
InChIKeyXVJPEUGBTBINFP-SQAWWCQLSA-N
XLogP21.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.00
LogP ≤ 521.24
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 (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide with MolForge

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Related Compounds

(Z,2S,3R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-12-[(1R,2S)-2-decylcyclopropyl]dodec-7-en-1-ol
CID 11785971
methyl (2R)-2-[1-acetyloxy-16-[(1R,2S)-2-[(19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacontyl]cyclopropyl]hexadec-1-enyl]hexacosanoate
CID 123885196
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
[(2R)-1-oxo-1-[[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]amino]tetracosan-2-yl] acetate
CID 11513609
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
CID 101386007
(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide
CID 90664228
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
CID 72752348
benzyl N-[(E,2S,3S,4R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-6-en-2-yl]carbamate
CID 134852258
2-[14-(2-hexatriacont-15-enylcyclopropyl)-1-hydroxytetradecyl]hexacosanoic acid
CID 162821800
[3-acetyloxy-2-(2-acetyloxytetracosanoylamino)octadec-12-enyl] acetate
CID 162981910
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide?
The IUPAC name of (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide (CID 11205448) is (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide.
What is the SMILES notation for (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide?
The canonical SMILES for (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide is CCCCCCCCCC[C@@H]1C[C@@H]1CCCC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCC[C@H]1C[C@H]1CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide?
The InChIKey is XVJPEUGBTBINFP-SQAWWCQLSA-N. The full InChI is InChI=1S/C64H129NO4Si3/c1-18-20-22-24-26-28-33-39-45-54-51-56(54)47-41-35-30-31-37-44-50-60(69-72(16,17)64(9,10)11)61(66)65-58(53-67-70(12,13)62(3,4)5)59(68-71(14,15)63(6,7)8)49-43-38-32-36-42-48-57-52-55(57)46-40-34-29-27-25-23-21-19-2/h31,37,54-60H,18-30,32-36,38-53H2,1-17H3,(H,65,66)/b37-31-/t54-,55-,56+,57+,58+,59-,60-/m1/s1.
What are the key properties of (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide?
(Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide has a molecular weight of 1061.00 g/mol, XLogP of 21.24, 44 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(1S,2R)-2-decylcyclopropyl]decan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-10-[(1S,2R)-2-decylcyclopropyl]dec-5-enamide is sourced from PubChem (CID 11205448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).