propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate

C17H28O4Si — CID 101383246

IUPACpropan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
SMILESCC(C)OC(=O)C[C@@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H28O4Si/c1-14(2)20-17(18)11-16(21-22(3,4)5)13-19-12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1
InChIKeyULFIKVMNZIEWDH-INIZCTEOSA-N
MW324.49 g/mol
LogP3.77
Rot. Bonds9

About propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate

propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate (PubChem CID 101383246) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
PubChem CID101383246
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namepropan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
SMILESCC(C)OC(=O)C[C@@H](COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H28O4Si/c1-14(2)20-17(18)11-16(21-22(3,4)5)13-19-12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1
InChIKeyULFIKVMNZIEWDH-INIZCTEOSA-N
XLogP3.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
propan-2-yl (3R)-6-chloro-5-hydroxy-3-phenylmethoxyhexanoate
CID 89272962
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate?
The IUPAC name of propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate (CID 101383246) is propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate.
What is the SMILES notation for propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate?
The canonical SMILES for propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate is CC(C)OC(=O)C[C@@H](COCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate?
The InChIKey is ULFIKVMNZIEWDH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-14(2)20-17(18)11-16(21-22(3,4)5)13-19-12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3/t16-/m0/s1.
What are the key properties of propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate?
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate has a molecular weight of 324.49 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 101383246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).