[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol

C20H29NO2Si — CID 21062594

IUPAC[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCO
InChIInChI=1S/C20H29NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21-22H,15-16H2,1-4H3
InChIKeyGSGCOLSWMLWCTR-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.49
Rot. Bonds7

About [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol

[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol (PubChem CID 21062594) has the molecular formula C20H29NO2Si and a molecular weight of 343.54 g/mol. Its IUPAC name is [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol.

Molecular Properties

Compound Name[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
PubChem CID21062594
Molecular FormulaC20H29NO2Si
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC Name[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCO
InChIInChI=1S/C20H29NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21-22H,15-16H2,1-4H3
InChIKeyGSGCOLSWMLWCTR-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol?
The IUPAC name of [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol (CID 21062594) is [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol.
What is the SMILES notation for [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol?
The canonical SMILES for [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NCO.
What is the InChIKey of [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol?
The InChIKey is GSGCOLSWMLWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21-22H,15-16H2,1-4H3.
What are the key properties of [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol?
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol has a molecular weight of 343.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol is sourced from PubChem (CID 21062594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).