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

C14H27F2IOSi — CID 91471552

IUPACtert-butyl-[(3S)-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-/m0/s1
InChIKeyFICFZELBMPGGQU-LBPRGKRZSA-N
MW404.36 g/mol
LogP6.15
Rot. Bonds7

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

tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 91471552) has the molecular formula C14H27F2IOSi and a molecular weight of 404.36 g/mol. Its IUPAC name is tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
PubChem CID91471552
Molecular FormulaC14H27F2IOSi
Molecular Weight404.36 g/mol
Exact Mass404.08
IUPAC Nametert-butyl-[(3S)-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-/m0/s1
InChIKeyFICFZELBMPGGQU-LBPRGKRZSA-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'}

Analyze tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane (CID 91471552) is tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-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-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is FICFZELBMPGGQU-LBPRGKRZSA-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-/m0/s1.
What are the key properties of tert-butyl-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-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-[(3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 91471552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).