tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane

C18H37FO2Si2 — CID 11210618

IUPACtert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C(F)=C\[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37FO2Si2/c1-12-15(19)13-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h12-13,16H,1,14H2,2-11H3/b15-13+/t16-/m1/s1
InChIKeyNEQWMLRJQYMELJ-QJPKHSJYSA-N
MW360.66 g/mol
LogP6.44
Rot. Bonds7

About tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane

tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane (PubChem CID 11210618) has the molecular formula C18H37FO2Si2 and a molecular weight of 360.66 g/mol. Its IUPAC name is tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane
PubChem CID11210618
Molecular FormulaC18H37FO2Si2
Molecular Weight360.66 g/mol
Exact Mass360.23
IUPAC Nametert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C(F)=C\[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37FO2Si2/c1-12-15(19)13-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h12-13,16H,1,14H2,2-11H3/b15-13+/t16-/m1/s1
InChIKeyNEQWMLRJQYMELJ-QJPKHSJYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
CID 11731540
tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane
CID 101480393
tert-butyl-dimethyl-[(Z)-4-trimethylsilyl-3-tri(propan-2-yl)silyloxyhex-4-en-2-yl]oxysilane
CID 135002741
tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane
CID 139252511
tert-butyl-dimethyl-[(3E)-5-trimethylsilyloxyhexa-3,5-dienoxy]silane
CID 154718522
tert-butyl-dimethyl-[(3E,5Z)-5-triethylsilyloxyhepta-3,5-dienoxy]silane
CID 154719316
tert-butyl-[(2R,3Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane
CID 11152626
tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
CID 10555844
tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane
CID 11058108
[(1R,6R)-3-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11683179
tert-butyl-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-2,4-dien-1-yl]oxy-dimethylsilane
CID 16105071

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane (CID 11210618) is tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane is C=C/C(F)=C\[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane?
The InChIKey is NEQWMLRJQYMELJ-QJPKHSJYSA-N. The full InChI is InChI=1S/C18H37FO2Si2/c1-12-15(19)13-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h12-13,16H,1,14H2,2-11H3/b15-13+/t16-/m1/s1.
What are the key properties of tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane has a molecular weight of 360.66 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3E)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 11210618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).