[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate

C18H27F7O4Si — CID 134813806

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27F7O4Si/c1-15(2,3)30(5,6)29-13(10-8-12-28-14(26)27-4)9-7-11-16(19,20)17(21,22)18(23,24)25/h8-10H,7,11-12H2,1-6H3/b10-8+,13-9-
InChIKeyLBEHIEFANYQGJN-VDSCFQBISA-N
MW468.48 g/mol
LogP6.84
Rot. Bonds9

About [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate (PubChem CID 134813806) has the molecular formula C18H27F7O4Si and a molecular weight of 468.48 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate
PubChem CID134813806
Molecular FormulaC18H27F7O4Si
Molecular Weight468.48 g/mol
Exact Mass468.16
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27F7O4Si/c1-15(2,3)30(5,6)29-13(10-8-12-28-14(26)27-4)9-7-11-16(19,20)17(21,22)18(23,24)25/h8-10H,7,11-12H2,1-6H3/b10-8+,13-9-
InChIKeyLBEHIEFANYQGJN-VDSCFQBISA-N
XLogP6.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate 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 [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate (CID 134813806) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate is COC(=O)OC/C=C/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate?
The InChIKey is LBEHIEFANYQGJN-VDSCFQBISA-N. The full InChI is InChI=1S/C18H27F7O4Si/c1-15(2,3)30(5,6)29-13(10-8-12-28-14(26)27-4)9-7-11-16(19,20)17(21,22)18(23,24)25/h8-10H,7,11-12H2,1-6H3/b10-8+,13-9-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate has a molecular weight of 468.48 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).