tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane

C18H36F2OSi — CID 59708132

IUPACtert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CCCCCCC(F)F
InChIInChI=1S/C18H36F2OSi/c1-18(2,3)22(4,5)21-16-14-12-10-8-6-7-9-11-13-15-17(19)20/h8,10,17H,6-7,9,11-16H2,1-5H3/b10-8+
InChIKeyBWBKYEUADWAGLA-CSKARUKUSA-N
MW334.57 g/mol
LogP6.95
Rot. Bonds12

About tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane

tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane (PubChem CID 59708132) has the molecular formula C18H36F2OSi and a molecular weight of 334.57 g/mol. Its IUPAC name is tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
PubChem CID59708132
Molecular FormulaC18H36F2OSi
Molecular Weight334.57 g/mol
Exact Mass334.25
IUPAC Nametert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CCCCCCC(F)F
InChIInChI=1S/C18H36F2OSi/c1-18(2,3)22(4,5)21-16-14-12-10-8-6-7-9-11-13-15-17(19)20/h8,10,17H,6-7,9,11-16H2,1-5H3/b10-8+
InChIKeyBWBKYEUADWAGLA-CSKARUKUSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane (CID 59708132) is tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC/C=C/CCCCCCC(F)F.
What is the InChIKey of tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane?
The InChIKey is BWBKYEUADWAGLA-CSKARUKUSA-N. The full InChI is InChI=1S/C18H36F2OSi/c1-18(2,3)22(4,5)21-16-14-12-10-8-6-7-9-11-13-15-17(19)20/h8,10,17H,6-7,9,11-16H2,1-5H3/b10-8+.
What are the key properties of tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane has a molecular weight of 334.57 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane is sourced from PubChem (CID 59708132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).