[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate

C96H166N2O8Si2 — CID 157151095

IUPAC[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCCCCCCN[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C55H97NO4Si.C41H69NO4Si/c1-7-10-13-16-18-20-21-22-24-26-29-38-46-56-50(49-59-61(55(4,5)6,52-40-33-30-34-41-52)53-42-35-31-36-43-53)48-58-47-45-51(39-32-27-15-12-9-3)60-54(57)44-37-28-25-23-19-17-14-11-8-2;1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39/h30-31,33-36,40-43,50-51,56H,7-29,32,37-39,44-49H2,1-6H3;18-19,21-24,27-30,36-37H,6-17,20,25-26,31-35,42H2,1-5H3/t50-,51-;36-,37-/m11/s1
InChIKeyALGMIQLNUYXFSF-UIUDPFAPSA-N
MW1532.56 g/mol
LogP24.31
Rot. Bonds68

About [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate

[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate (PubChem CID 157151095) has the molecular formula C96H166N2O8Si2 and a molecular weight of 1532.56 g/mol. Its IUPAC name is [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate.

Molecular Properties

Compound Name[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate
PubChem CID157151095
Molecular FormulaC96H166N2O8Si2
Molecular Weight1532.56 g/mol
Exact Mass1531.22
IUPAC Name[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCCCCCCN[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C55H97NO4Si.C41H69NO4Si/c1-7-10-13-16-18-20-21-22-24-26-29-38-46-56-50(49-59-61(55(4,5)6,52-40-33-30-34-41-52)53-42-35-31-36-43-53)48-58-47-45-51(39-32-27-15-12-9-3)60-54(57)44-37-28-25-23-19-17-14-11-8-2;1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39/h30-31,33-36,40-43,50-51,56H,7-29,32,37-39,44-49H2,1-6H3;18-19,21-24,27-30,36-37H,6-17,20,25-26,31-35,42H2,1-5H3/t50-,51-;36-,37-/m11/s1
InChIKeyALGMIQLNUYXFSF-UIUDPFAPSA-N
XLogP24.31
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds68
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.56
LogP ≤ 524.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate with MolForge

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Related Compounds

[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate
CID 57757074
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(tetradecyl)amino]propoxy]decan-3-yl] dodecanoate
CID 57757077
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 57757096
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate
CID 59055074
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
CID 59055123
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(dodecylcarbamoylamino)propoxy]decan-3-yl] dodecanoate
CID 60128682
[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate
CID 60128683
[3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
CID 88012641
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 91098778
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 91530768
(+/-)-3-[N,N-Bis(2-ter-butyldiphenylsilyloxyethyl)amino]-1,2-bis(tetradecanoyloxy)propane
CID 131730103
(5Z,14Z,19S)-19-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;methyl 2-aminoacetate;methyl 2-[[(5Z,14Z,19S)-19-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoyl]amino]acetate
CID 157886515

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate?
The IUPAC name of [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate (CID 157151095) is [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate.
What is the SMILES notation for [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate?
The canonical SMILES for [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate is CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCCCCCCN[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate?
The InChIKey is ALGMIQLNUYXFSF-UIUDPFAPSA-N. The full InChI is InChI=1S/C55H97NO4Si.C41H69NO4Si/c1-7-10-13-16-18-20-21-22-24-26-29-38-46-56-50(49-59-61(55(4,5)6,52-40-33-30-34-41-52)53-42-35-31-36-43-53)48-58-47-45-51(39-32-27-15-12-9-3)60-54(57)44-37-28-25-23-19-17-14-11-8-2;1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39/h30-31,33-36,40-43,50-51,56H,7-29,32,37-39,44-49H2,1-6H3;18-19,21-24,27-30,36-37H,6-17,20,25-26,31-35,42H2,1-5H3/t50-,51-;36-,37-/m11/s1.
What are the key properties of [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate?
[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate has a molecular weight of 1532.56 g/mol, XLogP of 24.31, 68 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate is sourced from PubChem (CID 157151095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).