1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol

C23H30N2O3Si — CID 90423990

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol
SMILESCC(C)(C)[Si](OCC(O)Cn1ccnc1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-19(27)16-25-15-14-24-22(25)17-26/h4-15,19,26-27H,16-18H2,1-3H3
InChIKeyVKVRLOXISRBNPT-UHFFFAOYSA-N
MW410.59 g/mol
LogP2.31
Rot. Bonds8

About 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol

1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol (PubChem CID 90423990) has the molecular formula C23H30N2O3Si and a molecular weight of 410.59 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol
PubChem CID90423990
Molecular FormulaC23H30N2O3Si
Molecular Weight410.59 g/mol
Exact Mass410.20
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol
SMILESCC(C)(C)[Si](OCC(O)Cn1ccnc1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-19(27)16-25-15-14-24-22(25)17-26/h4-15,19,26-27H,16-18H2,1-3H3
InChIKeyVKVRLOXISRBNPT-UHFFFAOYSA-N
XLogP2.31
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol (CID 90423990) is 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol is CC(C)(C)[Si](OCC(O)Cn1ccnc1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
The InChIKey is VKVRLOXISRBNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-19(27)16-25-15-14-24-22(25)17-26/h4-15,19,26-27H,16-18H2,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol?
1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol has a molecular weight of 410.59 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 90423990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).