tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane

C14H25FOSi — CID 174090226

IUPACtert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C=C(/CCO[Si](C)(C)C(C)(C)C)C(=C)F
InChIInChI=1S/C14H25FOSi/c1-8-9-13(12(2)15)10-11-16-17(6,7)14(3,4)5/h8-9H,1-2,10-11H2,3-7H3/b13-9-
InChIKeyNXILKMLULHEMAA-LCYFTJDESA-N
MW256.44 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane

tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane (PubChem CID 174090226) has the molecular formula C14H25FOSi and a molecular weight of 256.44 g/mol. Its IUPAC name is tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane
PubChem CID174090226
Molecular FormulaC14H25FOSi
Molecular Weight256.44 g/mol
Exact Mass256.17
IUPAC Nametert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C=C(/CCO[Si](C)(C)C(C)(C)C)C(=C)F
InChIInChI=1S/C14H25FOSi/c1-8-9-13(12(2)15)10-11-16-17(6,7)14(3,4)5/h8-9H,1-2,10-11H2,3-7H3/b13-9-
InChIKeyNXILKMLULHEMAA-LCYFTJDESA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane (CID 174090226) is tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane is C=C/C=C(/CCO[Si](C)(C)C(C)(C)C)C(=C)F.
What is the InChIKey of tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane?
The InChIKey is NXILKMLULHEMAA-LCYFTJDESA-N. The full InChI is InChI=1S/C14H25FOSi/c1-8-9-13(12(2)15)10-11-16-17(6,7)14(3,4)5/h8-9H,1-2,10-11H2,3-7H3/b13-9-.
What are the key properties of tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane has a molecular weight of 256.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 174090226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).