1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane

C15H31NO2Si — CID 66648095

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane
SMILESCO[Si](OC)(C1NCCC2CCCCC21)C(C)(C)C
InChIInChI=1S/C15H31NO2Si/c1-15(2,3)19(17-4,18-5)14-13-9-7-6-8-12(13)10-11-16-14/h12-14,16H,6-11H2,1-5H3
InChIKeyFUESSYQLIHYNGK-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.23
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane (PubChem CID 66648095) has the molecular formula C15H31NO2Si and a molecular weight of 285.50 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane
PubChem CID66648095
Molecular FormulaC15H31NO2Si
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane
SMILESCO[Si](OC)(C1NCCC2CCCCC21)C(C)(C)C
InChIInChI=1S/C15H31NO2Si/c1-15(2,3)19(17-4,18-5)14-13-9-7-6-8-12(13)10-11-16-14/h12-14,16H,6-11H2,1-5H3
InChIKeyFUESSYQLIHYNGK-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.23
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 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane (CID 66648095) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane is CO[Si](OC)(C1NCCC2CCCCC21)C(C)(C)C.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane?
The InChIKey is FUESSYQLIHYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2Si/c1-15(2,3)19(17-4,18-5)14-13-9-7-6-8-12(13)10-11-16-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane has a molecular weight of 285.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-tert-butyl-dimethoxysilane is sourced from PubChem (CID 66648095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).