(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol

C28H45NO2Si — CID 134845057

IUPAC(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol
SMILESCCCCC[C@H](CCO)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H45NO2Si/c1-5-6-9-16-25(21-23-30)29-22-14-15-24-31-32(28(2,3)4,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-8,10-13,17-20,25,29-30H,5-6,9,14-16,21-24H2,1-4H3/t25-/m1/s1
InChIKeyUGCOJASJCUAQNG-RUZDIDTESA-N
MW455.76 g/mol
LogP5.26
Rot. Bonds15

About (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol

(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol (PubChem CID 134845057) has the molecular formula C28H45NO2Si and a molecular weight of 455.76 g/mol. Its IUPAC name is (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol.

Molecular Properties

Compound Name(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol
PubChem CID134845057
Molecular FormulaC28H45NO2Si
Molecular Weight455.76 g/mol
Exact Mass455.32
IUPAC Name(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol
SMILESCCCCC[C@H](CCO)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H45NO2Si/c1-5-6-9-16-25(21-23-30)29-22-14-15-24-31-32(28(2,3)4,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-8,10-13,17-20,25,29-30H,5-6,9,14-16,21-24H2,1-4H3/t25-/m1/s1
InChIKeyUGCOJASJCUAQNG-RUZDIDTESA-N
XLogP5.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.76
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol
CID 10195175
[3-[8-[Tert-butyl(diphenyl)silyl]oxyoctyl]aziridin-2-yl]methanol
CID 135067192
(3S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol
CID 134845058
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol
CID 58007257
1-[Tert-butyl(diphenyl)silyl]oxyheptan-4-amine
CID 58870003
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 67294109
(4S)-2-[hydroxy(diphenyl)silyl]-2,6-dimethyl-5-(methylamino)heptan-4-ol
CID 68644997
6-[Tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid
CID 68815833
4-[2-[Tert-butyl(diphenyl)silyl]oxyethylamino]butan-1-ol
CID 69028673
(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
CID 70818874
5-(tert-Butyldiphenylsilyloxy)-N-isopropylpentan-1-amine
CID 70855202
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 73075636

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol?
The IUPAC name of (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol (CID 134845057) is (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol.
What is the SMILES notation for (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol?
The canonical SMILES for (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol is CCCCC[C@H](CCO)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol?
The InChIKey is UGCOJASJCUAQNG-RUZDIDTESA-N. The full InChI is InChI=1S/C28H45NO2Si/c1-5-6-9-16-25(21-23-30)29-22-14-15-24-31-32(28(2,3)4,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-8,10-13,17-20,25,29-30H,5-6,9,14-16,21-24H2,1-4H3/t25-/m1/s1.
What are the key properties of (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol?
(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol has a molecular weight of 455.76 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol is sourced from PubChem (CID 134845057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).