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

C16H34OSi — CID 157269138

IUPACtert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-10-11-12-13-14(15(2,3)4)17-18(8,9)16(5,6)7/h11-12,14H,10,13H2,1-9H3/b12-11-/t14-/m0/s1
InChIKeyZCQPLNLCKDWDMZ-NYHXXUGCSA-N
MW270.53 g/mol
LogP5.78
Rot. Bonds5

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

tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane (PubChem CID 157269138) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane
PubChem CID157269138
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-10-11-12-13-14(15(2,3)4)17-18(8,9)16(5,6)7/h11-12,14H,10,13H2,1-9H3/b12-11-/t14-/m0/s1
InChIKeyZCQPLNLCKDWDMZ-NYHXXUGCSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane (CID 157269138) is tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane is CC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is ZCQPLNLCKDWDMZ-NYHXXUGCSA-N. The full InChI is InChI=1S/C16H34OSi/c1-10-11-12-13-14(15(2,3)4)17-18(8,9)16(5,6)7/h11-12,14H,10,13H2,1-9H3/b12-11-/t14-/m0/s1.
What are the key properties of tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 270.53 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 157269138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).