tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C52H68N2O4Si2 — CID 142754710

IUPACtert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21
InChIInChI=1S/C52H68N2O4Si2/c1-50(2,3)58-49(55)54-38-24-26-42-36-37-43(53-48(42)54)27-23-22-25-41(39-56-59(51(4,5)6,44-28-14-10-15-29-44)45-30-16-11-17-31-45)40-57-60(52(7,8)9,46-32-18-12-19-33-46)47-34-20-13-21-35-47/h10-21,28-37,41H,22-27,38-40H2,1-9H3
InChIKeyNNIOZOQSRIVNGK-UHFFFAOYSA-N
MW841.30 g/mol
LogP10.25
Rot. Bonds15

About tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 142754710) has the molecular formula C52H68N2O4Si2 and a molecular weight of 841.30 g/mol. Its IUPAC name is tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID142754710
Molecular FormulaC52H68N2O4Si2
Molecular Weight841.30 g/mol
Exact Mass840.47
IUPAC Nametert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21
InChIInChI=1S/C52H68N2O4Si2/c1-50(2,3)58-49(55)54-38-24-26-42-36-37-43(53-48(42)54)27-23-22-25-41(39-56-59(51(4,5)6,44-28-14-10-15-29-44)45-30-16-11-17-31-45)40-57-60(52(7,8)9,46-32-18-12-19-33-46)47-34-20-13-21-35-47/h10-21,28-37,41H,22-27,38-40H2,1-9H3
InChIKeyNNIOZOQSRIVNGK-UHFFFAOYSA-N
XLogP10.25
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.30
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
CID 165121279
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
tert-butyl 7-[4-[[2-(dimethylamino)-2-hydroxyethyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 175209042
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 7-[3-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]azetidin-1-yl]propyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134514767
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739
tert-butyl 7-[4-[3-fluoropropyl-[4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 139463459
tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 153467939
tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134500824
tert-butyl 7-[4-[2-acetamidoethyl-[(3R)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 153429312

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 142754710) is tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21.
What is the InChIKey of tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is NNIOZOQSRIVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H68N2O4Si2/c1-50(2,3)58-49(55)54-38-24-26-42-36-37-43(53-48(42)54)27-23-22-25-41(39-56-59(51(4,5)6,44-28-14-10-15-29-44)45-30-16-11-17-31-45)40-57-60(52(7,8)9,46-32-18-12-19-33-46)47-34-20-13-21-35-47/h10-21,28-37,41H,22-27,38-40H2,1-9H3.
What are the key properties of tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 841.30 g/mol, XLogP of 10.25, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 142754710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).