1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane

C16H33NO2Si — CID 141083233

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane
SMILESCO[Si](CCC(C)C)(OC)C1NCCC2CCCCC21
InChIInChI=1S/C16H33NO2Si/c1-13(2)10-12-20(18-3,19-4)16-15-8-6-5-7-14(15)9-11-17-16/h13-17H,5-12H2,1-4H3
InChIKeyTWSMSYSDEJVGJD-UHFFFAOYSA-N
MW299.53 g/mol
LogP3.47
Rot. Bonds6

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane (PubChem CID 141083233) has the molecular formula C16H33NO2Si and a molecular weight of 299.53 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane
PubChem CID141083233
Molecular FormulaC16H33NO2Si
Molecular Weight299.53 g/mol
Exact Mass299.23
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane
SMILESCO[Si](CCC(C)C)(OC)C1NCCC2CCCCC21
InChIInChI=1S/C16H33NO2Si/c1-13(2)10-12-20(18-3,19-4)16-15-8-6-5-7-14(15)9-11-17-16/h13-17H,5-12H2,1-4H3
InChIKeyTWSMSYSDEJVGJD-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 53.47
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-dimethoxy-(3-methylbutyl)silane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane (CID 141083233) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane is CO[Si](CCC(C)C)(OC)C1NCCC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane?
The InChIKey is TWSMSYSDEJVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2Si/c1-13(2)10-12-20(18-3,19-4)16-15-8-6-5-7-14(15)9-11-17-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane has a molecular weight of 299.53 g/mol, XLogP of 3.47, 6 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-dimethoxy-(3-methylbutyl)silane is sourced from PubChem (CID 141083233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).