tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane

C17H36O2Si — CID 151528866

IUPACtert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC
InChIInChI=1S/C17H36O2Si/c1-11-14(4)16(18-8)12-15(13(2)3)19-20(9,10)17(5,6)7/h11,13-16H,1,12H2,2-10H3/t14-,15-,16-/m0/s1
InChIKeyPWBAEZNZLDULJX-JYJNAYRXSA-N
MW300.56 g/mol
LogP5.26
Rot. Bonds8

About tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane (PubChem CID 151528866) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
PubChem CID151528866
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Nametert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC
InChIInChI=1S/C17H36O2Si/c1-11-14(4)16(18-8)12-15(13(2)3)19-20(9,10)17(5,6)7/h11,13-16H,1,12H2,2-10H3/t14-,15-,16-/m0/s1
InChIKeyPWBAEZNZLDULJX-JYJNAYRXSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane (CID 151528866) is tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane is C=C[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC.
What is the InChIKey of tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The InChIKey is PWBAEZNZLDULJX-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-11-14(4)16(18-8)12-15(13(2)3)19-20(9,10)17(5,6)7/h11,13-16H,1,12H2,2-10H3/t14-,15-,16-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane has a molecular weight of 300.56 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 151528866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).