tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane

C28H39FO3Si — CID 139774217

IUPACtert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC/C=C(/F)COC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39FO3Si/c1-28(2,3)33(25-16-8-4-9-17-25,26-18-10-5-11-19-26)32-22-13-6-7-15-24(29)23-31-27-20-12-14-21-30-27/h4-5,8-11,15-19,27H,6-7,12-14,20-23H2,1-3H3/b24-15+
InChIKeyIQCUKEVUGPZKQV-BUVRLJJBSA-N
MW470.70 g/mol
LogP6.13
Rot. Bonds11

About tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane

tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane (PubChem CID 139774217) has the molecular formula C28H39FO3Si and a molecular weight of 470.70 g/mol. Its IUPAC name is tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
PubChem CID139774217
Molecular FormulaC28H39FO3Si
Molecular Weight470.70 g/mol
Exact Mass470.27
IUPAC Nametert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCC/C=C(/F)COC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39FO3Si/c1-28(2,3)33(25-16-8-4-9-17-25,26-18-10-5-11-19-26)32-22-13-6-7-15-24(29)23-31-27-20-12-14-21-30-27/h4-5,8-11,15-19,27H,6-7,12-14,20-23H2,1-3H3/b24-15+
InChIKeyIQCUKEVUGPZKQV-BUVRLJJBSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
CID 14673142
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
CID 14673143
1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-en-2-yl]oxysilane
CID 67913893
tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
CID 70364149
Tert-butyldiphenyl((2-(trifluoromethyl)-1,3-dioxan-5-yl)methoxy)silane
CID 131747543
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
tert-butyl-[(E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-enoxy]-diphenylsilane
CID 171813177
tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
CID 172679891
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
CID 175967985
Tert-butyl-[4,4-difluoro-5-(oxan-2-yloxy)pentoxy]-diphenylsilane
CID 176410539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane (CID 139774217) is tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane is CC(C)(C)[Si](OCCCC/C=C(/F)COC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane?
The InChIKey is IQCUKEVUGPZKQV-BUVRLJJBSA-N. The full InChI is InChI=1S/C28H39FO3Si/c1-28(2,3)33(25-16-8-4-9-17-25,26-18-10-5-11-19-26)32-22-13-6-7-15-24(29)23-31-27-20-12-14-21-30-27/h4-5,8-11,15-19,27H,6-7,12-14,20-23H2,1-3H3/b24-15+.
What are the key properties of tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane?
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane has a molecular weight of 470.70 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane is sourced from PubChem (CID 139774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).