3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione

C21H28F3NO3Si — CID 151776660

IUPAC3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione
SMILESCC1=C2C=CC(=O)C(C)=C2N(CC2CCCC(O[Si](C)(C)C)(C(F)(F)F)C2)C1=O
InChIInChI=1S/C21H28F3NO3Si/c1-13-16-8-9-17(26)14(2)18(16)25(19(13)27)12-15-7-6-10-20(11-15,21(22,23)24)28-29(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3
InChIKeyRTSLOXLXMPIIFV-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.90
Rot. Bonds4

About 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione

3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione (PubChem CID 151776660) has the molecular formula C21H28F3NO3Si and a molecular weight of 427.54 g/mol. Its IUPAC name is 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione
PubChem CID151776660
Molecular FormulaC21H28F3NO3Si
Molecular Weight427.54 g/mol
Exact Mass427.18
IUPAC Name3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione
SMILESCC1=C2C=CC(=O)C(C)=C2N(CC2CCCC(O[Si](C)(C)C)(C(F)(F)F)C2)C1=O
InChIInChI=1S/C21H28F3NO3Si/c1-13-16-8-9-17(26)14(2)18(16)25(19(13)27)12-15-7-6-10-20(11-15,21(22,23)24)28-29(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3
InChIKeyRTSLOXLXMPIIFV-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione (CID 151776660) is 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione is CC1=C2C=CC(=O)C(C)=C2N(CC2CCCC(O[Si](C)(C)C)(C(F)(F)F)C2)C1=O.
What is the InChIKey of 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione?
The InChIKey is RTSLOXLXMPIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO3Si/c1-13-16-8-9-17(26)14(2)18(16)25(19(13)27)12-15-7-6-10-20(11-15,21(22,23)24)28-29(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3.
What are the key properties of 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione?
3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione has a molecular weight of 427.54 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[[3-(trifluoromethyl)-3-trimethylsilyloxycyclohexyl]methyl]indole-2,6-dione is sourced from PubChem (CID 151776660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).