tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate

C24H35NO3Si — CID 11618502

IUPACtert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-19(25-22(26)28-23(2,3)4)18-27-29(24(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19H,18H2,1-7H3,(H,25,26)/t19-/m1/s1
InChIKeyDFBYXJYWVBOHNK-LJQANCHMSA-N
MW413.63 g/mol
LogP4.48
Rot. Bonds6

About tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (PubChem CID 11618502) has the molecular formula C24H35NO3Si and a molecular weight of 413.63 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
PubChem CID11618502
Molecular FormulaC24H35NO3Si
Molecular Weight413.63 g/mol
Exact Mass413.24
IUPAC Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-19(25-22(26)28-23(2,3)4)18-27-29(24(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19H,18H2,1-7H3,(H,25,26)/t19-/m1/s1
InChIKeyDFBYXJYWVBOHNK-LJQANCHMSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate (CID 11618502) is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
The InChIKey is DFBYXJYWVBOHNK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H35NO3Si/c1-19(25-22(26)28-23(2,3)4)18-27-29(24(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19H,18H2,1-7H3,(H,25,26)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate has a molecular weight of 413.63 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate is sourced from PubChem (CID 11618502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).