trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane

C21H36O3Si — CID 10929295

IUPACtrimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1C=C2C/C(=C/CCCCOC3CCCCO3)CC2C1
InChIInChI=1S/C21H36O3Si/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21/h9,15,19-21H,4-8,10-14,16H2,1-3H3/b17-9-
InChIKeyBJTYCYBHMNAHEG-MFOYZWKCSA-N
MW364.60 g/mol
LogP5.59
Rot. Bonds8

About trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane

trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane (PubChem CID 10929295) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane
PubChem CID10929295
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Nametrimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1C=C2C/C(=C/CCCCOC3CCCCO3)CC2C1
InChIInChI=1S/C21H36O3Si/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21/h9,15,19-21H,4-8,10-14,16H2,1-3H3/b17-9-
InChIKeyBJTYCYBHMNAHEG-MFOYZWKCSA-N
XLogP5.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(5E)-3-iodo-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy-trimethylsilane
CID 10863899
(5E)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-ol
CID 11071552
[(E,3R,4S,10R)-3,10-dimethyl-9-methylidene-12-(oxan-2-yloxy)dodec-5-en-1-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 25111730
bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
CID 10929294
tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane
CID 11006551
bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
CID 15971379

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane?
The IUPAC name of trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane (CID 10929295) is trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane is C[Si](C)(C)OC1C=C2C/C(=C/CCCCOC3CCCCO3)CC2C1.
What is the InChIKey of trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane?
The InChIKey is BJTYCYBHMNAHEG-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-25(2,3)24-20-15-18-13-17(14-19(18)16-20)9-5-4-7-11-22-21-10-6-8-12-23-21/h9,15,19-21H,4-8,10-14,16H2,1-3H3/b17-9-.
What are the key properties of trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane?
trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane has a molecular weight of 364.60 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane is sourced from PubChem (CID 10929295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).