[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane

C13H24O2Si — CID 46938779

IUPAC[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane
SMILESC[C@H]1OC(O[Si](C)(C)C)=C[C@@H]2CCCC[C@H]21
InChIInChI=1S/C13H24O2Si/c1-10-12-8-6-5-7-11(12)9-13(14-10)15-16(2,3)4/h9-12H,5-8H2,1-4H3/t10-,11+,12+/m1/s1
InChIKeyXGMRKHOBWYWABO-WOPDTQHZSA-N
MW240.42 g/mol
LogP3.90
Rot. Bonds2

About [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane

[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane (PubChem CID 46938779) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane
PubChem CID46938779
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane
SMILESC[C@H]1OC(O[Si](C)(C)C)=C[C@@H]2CCCC[C@H]21
InChIInChI=1S/C13H24O2Si/c1-10-12-8-6-5-7-11(12)9-13(14-10)15-16(2,3)4/h9-12H,5-8H2,1-4H3/t10-,11+,12+/m1/s1
InChIKeyXGMRKHOBWYWABO-WOPDTQHZSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane (CID 46938779) is [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane is C[C@H]1OC(O[Si](C)(C)C)=C[C@@H]2CCCC[C@H]21.
What is the InChIKey of [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane?
The InChIKey is XGMRKHOBWYWABO-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-12-8-6-5-7-11(12)9-13(14-10)15-16(2,3)4/h9-12H,5-8H2,1-4H3/t10-,11+,12+/m1/s1.
What are the key properties of [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane?
[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 46938779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).