tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane

C14H26F3IOSi — CID 22768576

IUPACtert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC(/C=C/I)CCCCC(F)(F)F
InChIInChI=1S/C14H26F3IOSi/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h9,11-12H,6-8,10H2,1-5H3/b11-9+
InChIKeyJTCDTEVKRNIKRS-PKNBQFBNSA-N
MW422.35 g/mol
LogP6.45
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane (PubChem CID 22768576) has the molecular formula C14H26F3IOSi and a molecular weight of 422.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
PubChem CID22768576
Molecular FormulaC14H26F3IOSi
Molecular Weight422.35 g/mol
Exact Mass422.07
IUPAC Nametert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC(/C=C/I)CCCCC(F)(F)F
InChIInChI=1S/C14H26F3IOSi/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h9,11-12H,6-8,10H2,1-5H3/b11-9+
InChIKeyJTCDTEVKRNIKRS-PKNBQFBNSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
CID 10948597
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
CID 11111369
Tert-butyl-dimethyl-(8,8,8-trifluoro-1-iodooct-1-en-3-yl)oxysilane
CID 53973252
tert-butyl-[(E,3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 87758246
tert-butyl-[(E,3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758289
tert-butyl-[(E,3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 87758707
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729
tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 91141361
tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 91471552
Tert-butyl-(4,4-difluorodec-1-en-3-yloxy)-dimethylsilane
CID 140988825
tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 173152997

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane (CID 22768576) is tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane is CC(C)(C)[Si](C)(C)OC(/C=C/I)CCCCC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane?
The InChIKey is JTCDTEVKRNIKRS-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H26F3IOSi/c1-13(2,3)20(4,5)19-12(9-11-18)8-6-7-10-14(15,16)17/h9,11-12H,6-8,10H2,1-5H3/b11-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane has a molecular weight of 422.35 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane is sourced from PubChem (CID 22768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).