bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane

C20H38N2O2Si — CID 10959523

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane
SMILESCO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C20H38N2O2Si/c1-23-25(24-2,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h17-20H,3-16H2,1-2H3
InChIKeyUHKARQPOAGNWFE-UHFFFAOYSA-N
MW366.62 g/mol
LogP4.02
Rot. Bonds4

About bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane (PubChem CID 10959523) has the molecular formula C20H38N2O2Si and a molecular weight of 366.62 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane
PubChem CID10959523
Molecular FormulaC20H38N2O2Si
Molecular Weight366.62 g/mol
Exact Mass366.27
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane
SMILESCO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C20H38N2O2Si/c1-23-25(24-2,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h17-20H,3-16H2,1-2H3
InChIKeyUHKARQPOAGNWFE-UHFFFAOYSA-N
XLogP4.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane (CID 10959523) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane is CO[Si](OC)(N1CCCC2CCCCC21)N1CCCC2CCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane?
The InChIKey is UHKARQPOAGNWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2Si/c1-23-25(24-2,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h17-20H,3-16H2,1-2H3.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane has a molecular weight of 366.62 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane is sourced from PubChem (CID 10959523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).