1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol

C24H35NO3Si — CID 58391204

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C)[Si](OCC(O)CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35NO3Si/c1-24(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-20-21(26)14-15-25-16-18-27-19-17-25/h4-13,21,26H,14-20H2,1-3H3
InChIKeySGOOVRHQFDAKIQ-UHFFFAOYSA-N
MW413.63 g/mol
LogP2.65
Rot. Bonds8

About 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol

1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol (PubChem CID 58391204) has the molecular formula C24H35NO3Si and a molecular weight of 413.63 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol
PubChem CID58391204
Molecular FormulaC24H35NO3Si
Molecular Weight413.63 g/mol
Exact Mass413.24
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C)[Si](OCC(O)CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35NO3Si/c1-24(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-20-21(26)14-15-25-16-18-27-19-17-25/h4-13,21,26H,14-20H2,1-3H3
InChIKeySGOOVRHQFDAKIQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol (CID 58391204) is 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol is CC(C)(C)[Si](OCC(O)CCN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol?
The InChIKey is SGOOVRHQFDAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3Si/c1-24(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-20-21(26)14-15-25-16-18-27-19-17-25/h4-13,21,26H,14-20H2,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol?
1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol has a molecular weight of 413.63 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 58391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).