(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one

C15H22O3Si — CID 11000400

IUPAC(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one
SMILESCO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h5-11,15H,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyFJJIEALPXYPOOL-AUECHBEKSA-N
MW278.42 g/mol
LogP3.70
Rot. Bonds7

About (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one

(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one (PubChem CID 11000400) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one.

Molecular Properties

Compound Name(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one
PubChem CID11000400
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one
SMILESCO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h5-11,15H,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyFJJIEALPXYPOOL-AUECHBEKSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
CID 102290866
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
3-methoxy-3-phenylpropanoic acid
CID 13379217
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
(E)-1,5,5-trimethoxypent-1-en-3-one
CID 23144803
1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
triphenyl-[(3S)-3-phenyl-3-trimethylsilyloxypropyl]phosphanium
CID 18651664
tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
CID 162402021
[(E,1S,7R)-7-hydroxy-5-oxo-1,7-diphenylhept-3-enyl] formate
CID 100956986
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397

Frequently Asked Questions

What is the IUPAC name of (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one?
The IUPAC name of (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one (CID 11000400) is (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one.
What is the SMILES notation for (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one?
The canonical SMILES for (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one is CO/C=C/C(=O)C[C@@H](O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one?
The InChIKey is FJJIEALPXYPOOL-AUECHBEKSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-17-11-10-14(16)12-15(18-19(2,3)4)13-8-6-5-7-9-13/h5-11,15H,12H2,1-4H3/b11-10+/t15-/m1/s1.
What are the key properties of (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one?
(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one has a molecular weight of 278.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one is sourced from PubChem (CID 11000400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).