[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate

C23H36O5Si — CID 11316120

IUPAC[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C23H36O5Si/c1-7-26-23(25)27-17-16-18(5)22(28-29(8-2,9-3)10-4)19(6)21(24)20-14-12-11-13-15-20/h11-16,19,22H,7-10,17H2,1-6H3/b18-16+/t19-,22-/m0/s1
InChIKeyXWZKLMIQDNJZMJ-ZXSJCNPFSA-N
MW420.62 g/mol
LogP6.02
Rot. Bonds12

About [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate

[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate (PubChem CID 11316120) has the molecular formula C23H36O5Si and a molecular weight of 420.62 g/mol. Its IUPAC name is [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate
PubChem CID11316120
Molecular FormulaC23H36O5Si
Molecular Weight420.62 g/mol
Exact Mass420.23
IUPAC Name[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C23H36O5Si/c1-7-26-23(25)27-17-16-18(5)22(28-29(8-2,9-3)10-4)19(6)21(24)20-14-12-11-13-15-20/h11-16,19,22H,7-10,17H2,1-6H3/b18-16+/t19-,22-/m0/s1
InChIKeyXWZKLMIQDNJZMJ-ZXSJCNPFSA-N
XLogP6.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
CID 10895412
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
CID 132570563
ethyl 2-benzoyl-3,5-dimethyl-4-oxohex-5-enoate
CID 15882365
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418

Frequently Asked Questions

What is the IUPAC name of [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate?
The IUPAC name of [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate (CID 11316120) is [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate?
The canonical SMILES for [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)c1ccccc1.
What is the InChIKey of [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate?
The InChIKey is XWZKLMIQDNJZMJ-ZXSJCNPFSA-N. The full InChI is InChI=1S/C23H36O5Si/c1-7-26-23(25)27-17-16-18(5)22(28-29(8-2,9-3)10-4)19(6)21(24)20-14-12-11-13-15-20/h11-16,19,22H,7-10,17H2,1-6H3/b18-16+/t19-,22-/m0/s1.
What are the key properties of [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate?
[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate has a molecular weight of 420.62 g/mol, XLogP of 6.02, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate is sourced from PubChem (CID 11316120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).