2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione

C21H33NO2Si2 — CID 10500442

IUPAC2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione
SMILESCC(C=C(C[Si](C)(C)C)C[Si](C)(C)C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H33NO2Si2/c1-16(12-17(14-25(2,3)4)15-26(5,6)7)13-22-20(23)18-10-8-9-11-19(18)21(22)24/h8-12,16H,13-15H2,1-7H3
InChIKeyYQIBPBHINYACFH-UHFFFAOYSA-N
MW387.67 g/mol
LogP5.52
Rot. Bonds7

About 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione

2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione (PubChem CID 10500442) has the molecular formula C21H33NO2Si2 and a molecular weight of 387.67 g/mol. Its IUPAC name is 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione
PubChem CID10500442
Molecular FormulaC21H33NO2Si2
Molecular Weight387.67 g/mol
Exact Mass387.20
IUPAC Name2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione
SMILESCC(C=C(C[Si](C)(C)C)C[Si](C)(C)C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H33NO2Si2/c1-16(12-17(14-25(2,3)4)15-26(5,6)7)13-22-20(23)18-10-8-9-11-19(18)21(22)24/h8-12,16H,13-15H2,1-7H3
InChIKeyYQIBPBHINYACFH-UHFFFAOYSA-N
XLogP5.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.67
LogP ≤ 55.52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione (CID 10500442) is 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione is CC(C=C(C[Si](C)(C)C)C[Si](C)(C)C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione?
The InChIKey is YQIBPBHINYACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2Si2/c1-16(12-17(14-25(2,3)4)15-26(5,6)7)13-22-20(23)18-10-8-9-11-19(18)21(22)24/h8-12,16H,13-15H2,1-7H3.
What are the key properties of 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione?
2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione has a molecular weight of 387.67 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-trimethylsilyl-4-(trimethylsilylmethyl)pent-3-enyl]isoindole-1,3-dione is sourced from PubChem (CID 10500442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).