(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one

C19H30O2Si — CID 10805540

IUPAC(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
SMILESCC[Si](CC)(CC)OC/C=C/C(CC(C)=O)c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-5-22(6-2,7-3)21-15-11-14-19(16-17(4)20)18-12-9-8-10-13-18/h8-14,19H,5-7,15-16H2,1-4H3/b14-11+
InChIKeyXRHZABGTLYLNOT-SDNWHVSQSA-N
MW318.53 g/mol
LogP5.33
Rot. Bonds10

About (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one

(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one (PubChem CID 10805540) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one.

Molecular Properties

Compound Name(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
PubChem CID10805540
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
SMILESCC[Si](CC)(CC)OC/C=C/C(CC(C)=O)c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-5-22(6-2,7-3)21-15-11-14-19(16-17(4)20)18-12-9-8-10-13-18/h8-14,19H,5-7,15-16H2,1-4H3/b14-11+
InChIKeyXRHZABGTLYLNOT-SDNWHVSQSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
(E)-1,4-diphenylhept-2-ene-1,6-dione
CID 12655089
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
CID 102311253
methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
(Z)-7-methoxy-5-phenylhept-6-en-2-one
CID 100946073
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
dimethyl 2-[(E)-4-methoxy-1-phenylbut-2-enyl]propanedioate
CID 12030871
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one?
The IUPAC name of (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one (CID 10805540) is (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one.
What is the SMILES notation for (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one?
The canonical SMILES for (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one is CC[Si](CC)(CC)OC/C=C/C(CC(C)=O)c1ccccc1.
What is the InChIKey of (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one?
The InChIKey is XRHZABGTLYLNOT-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-5-22(6-2,7-3)21-15-11-14-19(16-17(4)20)18-12-9-8-10-13-18/h8-14,19H,5-7,15-16H2,1-4H3/b14-11+.
What are the key properties of (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one?
(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one has a molecular weight of 318.53 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one is sourced from PubChem (CID 10805540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).