tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane

C17H36OSi — CID 162396979

IUPACtert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi/c1-10-14(2)13-15(3)11-12-16(4)18-19(8,9)17(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m1/s1
InChIKeyAHFIWUJRRFUKMH-OWCLPIDISA-N
MW284.56 g/mol
LogP6.03
Rot. Bonds8

About tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane (PubChem CID 162396979) has the molecular formula C17H36OSi and a molecular weight of 284.56 g/mol. Its IUPAC name is tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
PubChem CID162396979
Molecular FormulaC17H36OSi
Molecular Weight284.56 g/mol
Exact Mass284.25
IUPAC Nametert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi/c1-10-14(2)13-15(3)11-12-16(4)18-19(8,9)17(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m1/s1
InChIKeyAHFIWUJRRFUKMH-OWCLPIDISA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
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tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
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Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
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tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane (CID 162396979) is tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane is C=C[C@@H](C)C[C@@H](C)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane?
The InChIKey is AHFIWUJRRFUKMH-OWCLPIDISA-N. The full InChI is InChI=1S/C17H36OSi/c1-10-14(2)13-15(3)11-12-16(4)18-19(8,9)17(5,6)7/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane has a molecular weight of 284.56 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 162396979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).