tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate

C27H42N2O3Si — CID 59734160

IUPACtert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate
SMILESCC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C27H42N2O3Si/c1-22(28-29-25(30)32-26(2,3)4)16-14-15-21-31-33(27(5,6)7,23-17-10-8-11-18-23)24-19-12-9-13-20-24/h8-13,17-20,22,28H,14-16,21H2,1-7H3,(H,29,30)
InChIKeyCBPQJCLOZHHIHJ-UHFFFAOYSA-N
MW470.73 g/mol
LogP5.15
Rot. Bonds10

About tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate

tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate (PubChem CID 59734160) has the molecular formula C27H42N2O3Si and a molecular weight of 470.73 g/mol. Its IUPAC name is tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate
PubChem CID59734160
Molecular FormulaC27H42N2O3Si
Molecular Weight470.73 g/mol
Exact Mass470.30
IUPAC Nametert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate
SMILESCC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C27H42N2O3Si/c1-22(28-29-25(30)32-26(2,3)4)16-14-15-21-31-33(27(5,6)7,23-17-10-8-11-18-23)24-19-12-9-13-20-24/h8-13,17-20,22,28H,14-16,21H2,1-7H3,(H,29,30)
InChIKeyCBPQJCLOZHHIHJ-UHFFFAOYSA-N
XLogP5.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 55.15
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-15-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentadecan-2-yl]carbamate
CID 162511256
9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
CID 138985529
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
3-O-benzyl 1-O-tert-butyl 2-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]propanedioate
CID 166561326
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-2-(2,2-dimethylpropyl)octanoate;trimethyl(trifluoromethyl)silane
CID 90846905
9-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl]nonanoic acid;trimethyl(trifluoromethyl)silane
CID 91123549
[10-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]dec-6-yn-5-yl] benzoate
CID 46848457
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl 5-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-2-methylpentanoate
CID 166525128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate?
The IUPAC name of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate (CID 59734160) is tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate.
What is the SMILES notation for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate?
The canonical SMILES for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate is CC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate?
The InChIKey is CBPQJCLOZHHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O3Si/c1-22(28-29-25(30)32-26(2,3)4)16-14-15-21-31-33(27(5,6)7,23-17-10-8-11-18-23)24-19-12-9-13-20-24/h8-13,17-20,22,28H,14-16,21H2,1-7H3,(H,29,30).
What are the key properties of tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate?
tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate has a molecular weight of 470.73 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate is sourced from PubChem (CID 59734160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).