[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane

C13H24OSi — CID 124783835

IUPAC[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCC[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H24OSi/c1-15(2,3)14-13-10-6-8-11-7-4-5-9-12(11)13/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUUXGXVJTYSBNMG-VXGBXAGGSA-N
MW224.42 g/mol
LogP4.32
Rot. Bonds2

About [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane (PubChem CID 124783835) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane
PubChem CID124783835
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCC[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H24OSi/c1-15(2,3)14-13-10-6-8-11-7-4-5-9-12(11)13/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUUXGXVJTYSBNMG-VXGBXAGGSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane (CID 124783835) is [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=CCC[C@H]2CCCC[C@@H]12.
What is the InChIKey of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane?
The InChIKey is UUXGXVJTYSBNMG-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24OSi/c1-15(2,3)14-13-10-6-8-11-7-4-5-9-12(11)13/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane?
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 124783835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).