4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C17H27NO2Si — CID 67269940

IUPAC4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESC=CCN1C(=O)C2CC=CC([Si](C)(C)C(C)(C)C)C2C1=O
InChIInChI=1S/C17H27NO2Si/c1-7-11-18-15(19)12-9-8-10-13(14(12)16(18)20)21(5,6)17(2,3)4/h7-8,10,12-14H,1,9,11H2,2-6H3
InChIKeyMOLRQDCZUSKPCM-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.61
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 67269940) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID67269940
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESC=CCN1C(=O)C2CC=CC([Si](C)(C)C(C)(C)C)C2C1=O
InChIInChI=1S/C17H27NO2Si/c1-7-11-18-15(19)12-9-8-10-13(14(12)16(18)20)21(5,6)17(2,3)4/h7-8,10,12-14H,1,9,11H2,2-6H3
InChIKeyMOLRQDCZUSKPCM-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.61
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 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 67269940) is 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C=CCN1C(=O)C2CC=CC([Si](C)(C)C(C)(C)C)C2C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is MOLRQDCZUSKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-7-11-18-15(19)12-9-8-10-13(14(12)16(18)20)21(5,6)17(2,3)4/h7-8,10,12-14H,1,9,11H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 305.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 67269940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).