dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate

C99H150N6O14Si4 — CID 158191105

IUPACdimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate
SMILESCC(C)[Si](C)(C)C(C)C.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO)C1.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO[Si](C)(C(C)C)C(C)C)C1
InChIInChI=1S/C49H73N3O7Si2.C42H57N3O7Si.C8H20Si/c1-33(2)61(14,34(3)4)58-27-20-19-21-37-31-52(26-28-56-37)47(50-9)43(29-36-30-44(59-60(12,13)49(6,7)8)46(55-11)35(5)45(36)54-10)51-48(53)57-32-42-40-24-17-15-22-38(40)39-23-16-18-25-41(39)42;1-28-38(48-6)29(25-37(39(28)49-7)52-53(8,9)42(2,3)4)24-36(40(43-5)45-21-23-50-30(26-45)16-14-15-22-46)44-41(47)51-27-35-33-19-12-10-17-31(33)32-18-11-13-20-34(32)35;1-7(2)9(5,6)8(3)4/h15-18,22-25,30,33-34,37,42-43,47H,19-21,26-29,31-32H2,1-8,10-14H3,(H,51,53);10-13,17-20,25,30,35-36,40,46H,14-16,21-24,26-27H2,1-4,6-9H3,(H,44,47);7-8H,1-6H3/t37-,43-,47+;30-,36-,40+;/m00./s1
InChIKeyFZTLDMDCIKLKHZ-ZVRIZWGQSA-N
MW1760.66 g/mol
LogP22.84
Rot. Bonds36

About dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate

dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate (PubChem CID 158191105) has the molecular formula C99H150N6O14Si4 and a molecular weight of 1760.66 g/mol. Its IUPAC name is dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Namedimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate
PubChem CID158191105
Molecular FormulaC99H150N6O14Si4
Molecular Weight1760.66 g/mol
Exact Mass1759.03
IUPAC Namedimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate
SMILESCC(C)[Si](C)(C)C(C)C.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO)C1.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO[Si](C)(C(C)C)C(C)C)C1
InChIInChI=1S/C49H73N3O7Si2.C42H57N3O7Si.C8H20Si/c1-33(2)61(14,34(3)4)58-27-20-19-21-37-31-52(26-28-56-37)47(50-9)43(29-36-30-44(59-60(12,13)49(6,7)8)46(55-11)35(5)45(36)54-10)51-48(53)57-32-42-40-24-17-15-22-38(40)39-23-16-18-25-41(39)42;1-28-38(48-6)29(25-37(39(28)49-7)52-53(8,9)42(2,3)4)24-36(40(43-5)45-21-23-50-30(26-45)16-14-15-22-46)44-41(47)51-27-35-33-19-12-10-17-31(33)32-18-11-13-20-34(32)35;1-7(2)9(5,6)8(3)4/h15-18,22-25,30,33-34,37,42-43,47H,19-21,26-29,31-32H2,1-8,10-14H3,(H,51,53);10-13,17-20,25,30,35-36,40,46H,14-16,21-24,26-27H2,1-4,6-9H3,(H,44,47);7-8H,1-6H3/t37-,43-,47+;30-,36-,40+;/m00./s1
InChIKeyFZTLDMDCIKLKHZ-ZVRIZWGQSA-N
XLogP22.84
TPSA195.16 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.66
LogP ≤ 522.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(1S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate
CID 58878273
9H-fluoren-9-ylmethyl N-[(2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(1R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,7-dimethoxy-6-methyl-8-prop-2-enoxy-1-(prop-2-enoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]carbamate
CID 11707906
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 16743318
(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 59669456
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
(2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 155788475
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195

Frequently Asked Questions

What is the IUPAC name of dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate?
The IUPAC name of dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate (CID 158191105) is dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate.
What is the SMILES notation for dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate?
The canonical SMILES for dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate is CC(C)[Si](C)(C)C(C)C.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO)C1.[C-]#[N+][C@@H]([C@H](Cc1cc(O[Si](C)(C)C(C)(C)C)c(OC)c(C)c1OC)NC(=O)OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CCCCO[Si](C)(C(C)C)C(C)C)C1.
What is the InChIKey of dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate?
The InChIKey is FZTLDMDCIKLKHZ-ZVRIZWGQSA-N. The full InChI is InChI=1S/C49H73N3O7Si2.C42H57N3O7Si.C8H20Si/c1-33(2)61(14,34(3)4)58-27-20-19-21-37-31-52(26-28-56-37)47(50-9)43(29-36-30-44(59-60(12,13)49(6,7)8)46(55-11)35(5)45(36)54-10)51-48(53)57-32-42-40-24-17-15-22-38(40)39-23-16-18-25-41(39)42;1-28-38(48-6)29(25-37(39(28)49-7)52-53(8,9)42(2,3)4)24-36(40(43-5)45-21-23-50-30(26-45)16-14-15-22-46)44-41(47)51-27-35-33-19-12-10-17-31(33)32-18-11-13-20-34(32)35;1-7(2)9(5,6)8(3)4/h15-18,22-25,30,33-34,37,42-43,47H,19-21,26-29,31-32H2,1-8,10-14H3,(H,51,53);10-13,17-20,25,30,35-36,40,46H,14-16,21-24,26-27H2,1-4,6-9H3,(H,44,47);7-8H,1-6H3/t37-,43-,47+;30-,36-,40+;/m00./s1.
What are the key properties of dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate?
dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate has a molecular weight of 1760.66 g/mol, XLogP of 22.84, 36 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-di(propan-2-yl)silane;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-[(2S)-2-(4-hydroxybutyl)morpholin-4-yl]-1-isocyanopropan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[(1S,2S)-3-[5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethoxy-3-methylphenyl]-1-isocyano-1-[(2S)-2-[4-[methyl-di(propan-2-yl)silyl]oxybutyl]morpholin-4-yl]propan-2-yl]carbamate is sourced from PubChem (CID 158191105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).