tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate

C17H27NO3Si — CID 11809421

IUPACtert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](/C=C/[Si](C)(C)c1ccccc1)CO
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)21-16(20)18-14(13-19)11-12-22(4,5)15-9-7-6-8-10-15/h6-12,14,19H,13H2,1-5H3,(H,18,20)/b12-11+/t14-/m1/s1
InChIKeyMLARALXJQVQLDL-GCZGRYASSA-N
MW321.49 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate

tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate (PubChem CID 11809421) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate
PubChem CID11809421
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Nametert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](/C=C/[Si](C)(C)c1ccccc1)CO
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)21-16(20)18-14(13-19)11-12-22(4,5)15-9-7-6-8-10-15/h6-12,14,19H,13H2,1-5H3,(H,18,20)/b12-11+/t14-/m1/s1
InChIKeyMLARALXJQVQLDL-GCZGRYASSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate (CID 11809421) is tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](/C=C/[Si](C)(C)c1ccccc1)CO.
What is the InChIKey of tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate?
The InChIKey is MLARALXJQVQLDL-GCZGRYASSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-17(2,3)21-16(20)18-14(13-19)11-12-22(4,5)15-9-7-6-8-10-15/h6-12,14,19H,13H2,1-5H3,(H,18,20)/b12-11+/t14-/m1/s1.
What are the key properties of tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate?
tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate has a molecular weight of 321.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate is sourced from PubChem (CID 11809421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).