tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate

C20H37NO3Si — CID 168834262

IUPACtert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate
SMILESCC(C)(C)OC(=O)[C@H](C[Si](C)(C)C)/N=C1\CC2CC(C2(C)C)[C@@]1(C)O
InChIInChI=1S/C20H37NO3Si/c1-18(2,3)24-17(22)14(12-25(7,8)9)21-16-11-13-10-15(19(13,4)5)20(16,6)23/h13-15,23H,10-12H2,1-9H3/b21-16+/t13?,14-,15?,20+/m0/s1
InChIKeyDRFJLJSBHLJKFX-UNGKCUEESA-N
MW367.61 g/mol
LogP4.29
Rot. Bonds4

About tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate

tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate (PubChem CID 168834262) has the molecular formula C20H37NO3Si and a molecular weight of 367.61 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate
PubChem CID168834262
Molecular FormulaC20H37NO3Si
Molecular Weight367.61 g/mol
Exact Mass367.25
IUPAC Nametert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate
SMILESCC(C)(C)OC(=O)[C@H](C[Si](C)(C)C)/N=C1\CC2CC(C2(C)C)[C@@]1(C)O
InChIInChI=1S/C20H37NO3Si/c1-18(2,3)24-17(22)14(12-25(7,8)9)21-16-11-13-10-15(19(13,4)5)20(16,6)23/h13-15,23H,10-12H2,1-9H3/b21-16+/t13?,14-,15?,20+/m0/s1
InChIKeyDRFJLJSBHLJKFX-UNGKCUEESA-N
XLogP4.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate?
The IUPAC name of tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate (CID 168834262) is tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate?
The canonical SMILES for tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate is CC(C)(C)OC(=O)[C@H](C[Si](C)(C)C)/N=C1\CC2CC(C2(C)C)[C@@]1(C)O.
What is the InChIKey of tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate?
The InChIKey is DRFJLJSBHLJKFX-UNGKCUEESA-N. The full InChI is InChI=1S/C20H37NO3Si/c1-18(2,3)24-17(22)14(12-25(7,8)9)21-16-11-13-10-15(19(13,4)5)20(16,6)23/h13-15,23H,10-12H2,1-9H3/b21-16+/t13?,14-,15?,20+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate?
tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate has a molecular weight of 367.61 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-trimethylsilylpropanoate is sourced from PubChem (CID 168834262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).