tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane

C14H27F2IOSi — CID 91141361

IUPACtert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC(F)(F)[C@@H](C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F2IOSi/c1-7-8-10-14(15,16)12(9-11-17)18-19(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/t12-/m1/s1
InChIKeyFICFZELBMPGGQU-GFCCVEGCSA-N
MW404.36 g/mol
LogP6.15
Rot. Bonds7

About tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 91141361) has the molecular formula C14H27F2IOSi and a molecular weight of 404.36 g/mol. Its IUPAC name is tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
PubChem CID91141361
Molecular FormulaC14H27F2IOSi
Molecular Weight404.36 g/mol
Exact Mass404.08
IUPAC Nametert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC(F)(F)[C@@H](C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F2IOSi/c1-7-8-10-14(15,16)12(9-11-17)18-19(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/t12-/m1/s1
InChIKeyFICFZELBMPGGQU-GFCCVEGCSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
CID 22768576
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-[(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-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane (CID 91141361) is tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane is CCCCC(F)(F)[C@@H](C=CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is FICFZELBMPGGQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27F2IOSi/c1-7-8-10-14(15,16)12(9-11-17)18-19(5,6)13(2,3)4/h9,11-12H,7-8,10H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 404.36 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 91141361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).