tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane

C18H35F3OSi — CID 14521703

IUPACtert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C18H35F3OSi/c1-17(2,3)23(4,5)22-16-14-12-10-8-6-7-9-11-13-15-18(19,20)21/h11,13H,6-10,12,14-16H2,1-5H3/b13-11+
InChIKeyMHYDDZSXICCRFW-ACCUITESSA-N
MW352.56 g/mol
LogP7.25
Rot. Bonds11

About tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane

tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane (PubChem CID 14521703) has the molecular formula C18H35F3OSi and a molecular weight of 352.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
PubChem CID14521703
Molecular FormulaC18H35F3OSi
Molecular Weight352.56 g/mol
Exact Mass352.24
IUPAC Nametert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C18H35F3OSi/c1-17(2,3)23(4,5)22-16-14-12-10-8-6-7-9-11-13-15-18(19,20)21/h11,13H,6-10,12,14-16H2,1-5H3/b13-11+
InChIKeyMHYDDZSXICCRFW-ACCUITESSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 57.25
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-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane (CID 14521703) is tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane is CC(C)(C)[Si](C)(C)OCCCCCCCC/C=C/CC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane?
The InChIKey is MHYDDZSXICCRFW-ACCUITESSA-N. The full InChI is InChI=1S/C18H35F3OSi/c1-17(2,3)23(4,5)22-16-14-12-10-8-6-7-9-11-13-15-18(19,20)21/h11,13H,6-10,12,14-16H2,1-5H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane?
tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane has a molecular weight of 352.56 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane is sourced from PubChem (CID 14521703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).