[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane

C31H49NS2Si — CID 58907885

IUPAC[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)C3CCC4C(C5CCC6CCCCC6N5)CCCC43)C2S1
InChIInChI=1S/C31H49NS2Si/c1-18-16-24-25-17-19(2)34-30(25)31(29(24)33-18)35(3,4)28-15-13-21-22(9-7-10-23(21)28)27-14-12-20-8-5-6-11-26(20)32-27/h16-17,20-32H,5-15H2,1-4H3
InChIKeyZVBQEZMMZGILCM-UHFFFAOYSA-N
MW527.96 g/mol
LogP8.86
Rot. Bonds3

About [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane

[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane (PubChem CID 58907885) has the molecular formula C31H49NS2Si and a molecular weight of 527.96 g/mol. Its IUPAC name is [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane.

Molecular Properties

Compound Name[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane
PubChem CID58907885
Molecular FormulaC31H49NS2Si
Molecular Weight527.96 g/mol
Exact Mass527.31
IUPAC Name[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)C3CCC4C(C5CCC6CCCCC6N5)CCCC43)C2S1
InChIInChI=1S/C31H49NS2Si/c1-18-16-24-25-17-19(2)34-30(25)31(29(24)33-18)35(3,4)28-15-13-21-22(9-7-10-23(21)28)27-14-12-20-8-5-6-11-26(20)32-27/h16-17,20-32H,5-15H2,1-4H3
InChIKeyZVBQEZMMZGILCM-UHFFFAOYSA-N
XLogP8.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane?
The IUPAC name of [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane (CID 58907885) is [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane.
What is the SMILES notation for [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane?
The canonical SMILES for [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane is CC1=CC2C3C=C(C)SC3C([Si](C)(C)C3CCC4C(C5CCC6CCCCC6N5)CCCC43)C2S1.
What is the InChIKey of [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane?
The InChIKey is ZVBQEZMMZGILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NS2Si/c1-18-16-24-25-17-19(2)34-30(25)31(29(24)33-18)35(3,4)28-15-13-21-22(9-7-10-23(21)28)27-14-12-20-8-5-6-11-26(20)32-27/h16-17,20-32H,5-15H2,1-4H3.
What are the key properties of [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane?
[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane has a molecular weight of 527.96 g/mol, XLogP of 8.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane is sourced from PubChem (CID 58907885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).