1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione

C19H27NO2Si — CID 134961090

IUPAC1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione
SMILESC[Si](C)(C)[C@@H](/C=C/CCCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C19H27NO2Si/c1-23(2,3)17(16-10-6-4-7-11-16)12-8-5-9-15-20-18(21)13-14-19(20)22/h4,6-8,10-12,17H,5,9,13-15H2,1-3H3/b12-8+/t17-/m0/s1
InChIKeyFGNYJYNANMMCMR-UEICXMAYSA-N
MW329.52 g/mol
LogP4.13
Rot. Bonds7

About 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione

1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione (PubChem CID 134961090) has the molecular formula C19H27NO2Si and a molecular weight of 329.52 g/mol. Its IUPAC name is 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione
PubChem CID134961090
Molecular FormulaC19H27NO2Si
Molecular Weight329.52 g/mol
Exact Mass329.18
IUPAC Name1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione
SMILESC[Si](C)(C)[C@@H](/C=C/CCCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C19H27NO2Si/c1-23(2,3)17(16-10-6-4-7-11-16)12-8-5-9-15-20-18(21)13-14-19(20)22/h4,6-8,10-12,17H,5,9,13-15H2,1-3H3/b12-8+/t17-/m0/s1
InChIKeyFGNYJYNANMMCMR-UEICXMAYSA-N
XLogP4.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione (CID 134961090) is 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione is C[Si](C)(C)[C@@H](/C=C/CCCN1C(=O)CCC1=O)c1ccccc1.
What is the InChIKey of 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione?
The InChIKey is FGNYJYNANMMCMR-UEICXMAYSA-N. The full InChI is InChI=1S/C19H27NO2Si/c1-23(2,3)17(16-10-6-4-7-11-16)12-8-5-9-15-20-18(21)13-14-19(20)22/h4,6-8,10-12,17H,5,9,13-15H2,1-3H3/b12-8+/t17-/m0/s1.
What are the key properties of 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione?
1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione has a molecular weight of 329.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,6S)-6-phenyl-6-trimethylsilylhex-4-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134961090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).