1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane

C14H29NO2Si — CID 141083129

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane
SMILESCO[Si](OC)(C(C)C)C1NCCC2CCCCC21
InChIInChI=1S/C14H29NO2Si/c1-11(2)18(16-3,17-4)14-13-8-6-5-7-12(13)9-10-15-14/h11-15H,5-10H2,1-4H3
InChIKeyWRYFPAAWBXCVII-UHFFFAOYSA-N
MW271.48 g/mol
LogP2.84
Rot. Bonds4

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane (PubChem CID 141083129) has the molecular formula C14H29NO2Si and a molecular weight of 271.48 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane
PubChem CID141083129
Molecular FormulaC14H29NO2Si
Molecular Weight271.48 g/mol
Exact Mass271.20
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane
SMILESCO[Si](OC)(C(C)C)C1NCCC2CCCCC21
InChIInChI=1S/C14H29NO2Si/c1-11(2)18(16-3,17-4)14-13-8-6-5-7-12(13)9-10-15-14/h11-15H,5-10H2,1-4H3
InChIKeyWRYFPAAWBXCVII-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 52.84
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-propan-2-ylsilane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane (CID 141083129) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane is CO[Si](OC)(C(C)C)C1NCCC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane?
The InChIKey is WRYFPAAWBXCVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2Si/c1-11(2)18(16-3,17-4)14-13-8-6-5-7-12(13)9-10-15-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane has a molecular weight of 271.48 g/mol, XLogP of 2.84, 4 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-propan-2-ylsilane is sourced from PubChem (CID 141083129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).