(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol

C18H21F7O2Se — CID 10838464

IUPAC(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol
SMILESCCO/C(=C(/[Se]c1ccccc1)C(O)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H21F7O2Se/c1-5-27-14(16(19,20)17(21,22)18(23,24)25)12(13(26)15(2,3)4)28-11-9-7-6-8-10-11/h6-10,13,26H,5H2,1-4H3/b14-12+
InChIKeyLZVKHJMONZWYFH-WYMLVPIESA-N
MW481.31 g/mol
LogP4.50
Rot. Bonds7

About (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol

(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol (PubChem CID 10838464) has the molecular formula C18H21F7O2Se and a molecular weight of 481.31 g/mol. Its IUPAC name is (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol.

Molecular Properties

Compound Name(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol
PubChem CID10838464
Molecular FormulaC18H21F7O2Se
Molecular Weight481.31 g/mol
Exact Mass482.06
IUPAC Name(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol
SMILESCCO/C(=C(/[Se]c1ccccc1)C(O)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H21F7O2Se/c1-5-27-14(16(19,20)17(21,22)18(23,24)25)12(13(26)15(2,3)4)28-11-9-7-6-8-10-11/h6-10,13,26H,5H2,1-4H3/b14-12+
InChIKeyLZVKHJMONZWYFH-WYMLVPIESA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol with MolForge

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Related Compounds

(Z)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11302916
(E)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11337394
4,4-Dimethyl-3-phenylselenonylcyclopent-2-en-1-ol
CID 134891066
(Z)-5-ethoxy-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethyl-4-phenylselanylnon-4-en-3-ol
CID 10554237
(E)-5-ethoxy-6,6,7,7,7-pentafluoro-2,2-dimethyl-4-phenylselanylhept-4-en-3-ol
CID 10598779
(1E,4E)-5-ethoxy-6,6,7,7,7-pentafluoro-1-phenyl-4-phenylselanylhepta-1,4-dien-3-ol
CID 10766975
(1E,4E)-5-ethoxy-6,6,6-trifluoro-1-phenyl-4-phenylselanylhexa-1,4-dien-3-ol
CID 10788587
(E)-5-ethoxy-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethyl-4-phenylselanylnon-4-en-3-ol
CID 15879955
(Z)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol
CID 101066275
(1E,4Z)-5-ethoxy-6,6,7,7,7-pentafluoro-1-phenyl-4-phenylselanylhepta-1,4-dien-3-ol
CID 177506880
(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol
CID 10828971
(E)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol
CID 177564973

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol?
The IUPAC name of (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol (CID 10838464) is (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol.
What is the SMILES notation for (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol?
The canonical SMILES for (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol is CCO/C(=C(/[Se]c1ccccc1)C(O)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol?
The InChIKey is LZVKHJMONZWYFH-WYMLVPIESA-N. The full InChI is InChI=1S/C18H21F7O2Se/c1-5-27-14(16(19,20)17(21,22)18(23,24)25)12(13(26)15(2,3)4)28-11-9-7-6-8-10-11/h6-10,13,26H,5H2,1-4H3/b14-12+.
What are the key properties of (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol?
(E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol has a molecular weight of 481.31 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethoxy-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-4-phenylselanyloct-4-en-3-ol is sourced from PubChem (CID 10838464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).