tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane

C18H26F12OSi — CID 101361076

IUPACtert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane
SMILESCCCCC/C(O[Si](C)(C)C(C)(C)C)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F12OSi/c1-7-8-9-10-11(31-32(5,6)13(2,3)4)12(19)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)30/h7-10H2,1-6H3/b12-11+
InChIKeyLDCZZYWCGUBKCP-VAWYXSNFSA-N
MW514.47 g/mol
LogP8.87
Rot. Bonds10

About tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane

tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane (PubChem CID 101361076) has the molecular formula C18H26F12OSi and a molecular weight of 514.47 g/mol. Its IUPAC name is tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane
PubChem CID101361076
Molecular FormulaC18H26F12OSi
Molecular Weight514.47 g/mol
Exact Mass514.16
IUPAC Nametert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane
SMILESCCCCC/C(O[Si](C)(C)C(C)(C)C)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H26F12OSi/c1-7-8-9-10-11(31-32(5,6)13(2,3)4)12(19)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)30/h7-10H2,1-6H3/b12-11+
InChIKeyLDCZZYWCGUBKCP-VAWYXSNFSA-N
XLogP8.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane (CID 101361076) is tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane is CCCCC/C(O[Si](C)(C)C(C)(C)C)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane?
The InChIKey is LDCZZYWCGUBKCP-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H26F12OSi/c1-7-8-9-10-11(31-32(5,6)13(2,3)4)12(19)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)30/h7-10H2,1-6H3/b12-11+.
What are the key properties of tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane?
tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane has a molecular weight of 514.47 g/mol, XLogP of 8.87, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7,8,8,9,9,10,10,11,11,12,12,12-dodecafluorododec-6-en-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 101361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).