1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol

C17H31NO2Si — CID 59835981

IUPAC1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)(CCN)c1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-16(2,3)21(4,5)20-14-12-17(19,11-13-18)15-9-7-6-8-10-15/h6-10,19H,11-14,18H2,1-5H3
InChIKeyPZTZYXBMMHGOJA-UHFFFAOYSA-N
MW309.53 g/mol
LogP3.63
Rot. Bonds7

About 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol

1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol (PubChem CID 59835981) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
PubChem CID59835981
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC Name1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)(CCN)c1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-16(2,3)21(4,5)20-14-12-17(19,11-13-18)15-9-7-6-8-10-15/h6-10,19H,11-14,18H2,1-5H3
InChIKeyPZTZYXBMMHGOJA-UHFFFAOYSA-N
XLogP3.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-phenylpentan-3-ol
CID 79006155
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
CID 102367475
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol
CID 66688272
(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol
CID 66688271
1-[tert-butyl(dimethyl)silyl]oxy-5-chloro-4-hydroxy-4-phenylpentan-2-one
CID 100965617
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol?
The IUPAC name of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol (CID 59835981) is 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol.
What is the SMILES notation for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol?
The canonical SMILES for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol is CC(C)(C)[Si](C)(C)OCCC(O)(CCN)c1ccccc1.
What is the InChIKey of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol?
The InChIKey is PZTZYXBMMHGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-16(2,3)21(4,5)20-14-12-17(19,11-13-18)15-9-7-6-8-10-15/h6-10,19H,11-14,18H2,1-5H3.
What are the key properties of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol?
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol has a molecular weight of 309.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol is sourced from PubChem (CID 59835981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).