[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite

C17H29FO — CID 144585746

IUPAC[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite
SMILESC=C/C=C(\C=C/CC(C)(C)C(C)(C)C(C)(C)C)OF
InChIInChI=1S/C17H29FO/c1-9-11-14(19-18)12-10-13-16(5,6)17(7,8)15(2,3)4/h9-12H,1,13H2,2-8H3/b12-10-,14-11+
InChIKeyNRQYDPWMNRMYNG-NNIWUBQSSA-N
MW268.42 g/mol
LogP6.00
Rot. Bonds6

About [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite

[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite (PubChem CID 144585746) has the molecular formula C17H29FO and a molecular weight of 268.42 g/mol. Its IUPAC name is [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite.

Molecular Properties

Compound Name[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite
PubChem CID144585746
Molecular FormulaC17H29FO
Molecular Weight268.42 g/mol
Exact Mass268.22
IUPAC Name[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite
SMILESC=C/C=C(\C=C/CC(C)(C)C(C)(C)C(C)(C)C)OF
InChIInChI=1S/C17H29FO/c1-9-11-14(19-18)12-10-13-16(5,6)17(7,8)15(2,3)4/h9-12H,1,13H2,2-8H3/b12-10-,14-11+
InChIKeyNRQYDPWMNRMYNG-NNIWUBQSSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite?
The IUPAC name of [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite (CID 144585746) is [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite.
What is the SMILES notation for [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite?
The canonical SMILES for [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite is C=C/C=C(\C=C/CC(C)(C)C(C)(C)C(C)(C)C)OF.
What is the InChIKey of [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite?
The InChIKey is NRQYDPWMNRMYNG-NNIWUBQSSA-N. The full InChI is InChI=1S/C17H29FO/c1-9-11-14(19-18)12-10-13-16(5,6)17(7,8)15(2,3)4/h9-12H,1,13H2,2-8H3/b12-10-,14-11+.
What are the key properties of [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite?
[(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite has a molecular weight of 268.42 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-8,8,9,9,10,10-hexamethylundeca-1,3,5-trien-4-yl] hypofluorite is sourced from PubChem (CID 144585746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).