amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate

C13H27NO3Si — CID 67681018

IUPACamino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate
SMILESC[Si](C)(C)O[C@@H](CCC1CCCCC1)C(=O)ON
InChIInChI=1S/C13H27NO3Si/c1-18(2,3)17-12(13(15)16-14)10-9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1
InChIKeySBOBGTORARZPAZ-LBPRGKRZSA-N
MW273.45 g/mol
LogP2.98
Rot. Bonds6

About amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate

amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate (PubChem CID 67681018) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nameamino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate
PubChem CID67681018
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Nameamino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate
SMILESC[Si](C)(C)O[C@@H](CCC1CCCCC1)C(=O)ON
InChIInChI=1S/C13H27NO3Si/c1-18(2,3)17-12(13(15)16-14)10-9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1
InChIKeySBOBGTORARZPAZ-LBPRGKRZSA-N
XLogP2.98
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The IUPAC name of amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate (CID 67681018) is amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate.
What is the SMILES notation for amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The canonical SMILES for amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate is C[Si](C)(C)O[C@@H](CCC1CCCCC1)C(=O)ON.
What is the InChIKey of amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The InChIKey is SBOBGTORARZPAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-18(2,3)17-12(13(15)16-14)10-9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1.
What are the key properties of amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate?
amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate has a molecular weight of 273.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-4-cyclohexyl-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 67681018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).