3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane

C19H31NO2Si — CID 59630499

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane
SMILESCO[Si](CCCC1CNC2CCCCC12)(OC)c1ccccc1
InChIInChI=1S/C19H31NO2Si/c1-21-23(22-2,17-10-4-3-5-11-17)14-8-9-16-15-20-19-13-7-6-12-18(16)19/h3-5,10-11,16,18-20H,6-9,12-15H2,1-2H3
InChIKeyXKXFFOBKJGUIPL-UHFFFAOYSA-N
MW333.55 g/mol
LogP3.19
Rot. Bonds7

About 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane (PubChem CID 59630499) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane
PubChem CID59630499
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane
SMILESCO[Si](CCCC1CNC2CCCCC12)(OC)c1ccccc1
InChIInChI=1S/C19H31NO2Si/c1-21-23(22-2,17-10-4-3-5-11-17)14-8-9-16-15-20-19-13-7-6-12-18(16)19/h3-5,10-11,16,18-20H,6-9,12-15H2,1-2H3
InChIKeyXKXFFOBKJGUIPL-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
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-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane (CID 59630499) is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane is CO[Si](CCCC1CNC2CCCCC12)(OC)c1ccccc1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane?
The InChIKey is XKXFFOBKJGUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-21-23(22-2,17-10-4-3-5-11-17)14-8-9-16-15-20-19-13-7-6-12-18(16)19/h3-5,10-11,16,18-20H,6-9,12-15H2,1-2H3.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane?
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane has a molecular weight of 333.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane is sourced from PubChem (CID 59630499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).