(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol

C10H13FO — CID 89403049

IUPAC(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol
SMILESC=CC/C=C(O)/C=C\C(F)=C/C
InChIInChI=1S/C10H13FO/c1-3-5-6-10(12)8-7-9(11)4-2/h3-4,6-8,12H,1,5H2,2H3/b8-7-,9-4+,10-6-
InChIKeyJLRIVKUGMGRNNC-PWJNUBNDSA-N
MW168.21 g/mol
LogP3.43
Rot. Bonds4

About (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol

(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol (PubChem CID 89403049) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol.

Molecular Properties

Compound Name(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol
PubChem CID89403049
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol
SMILESC=CC/C=C(O)/C=C\C(F)=C/C
InChIInChI=1S/C10H13FO/c1-3-5-6-10(12)8-7-9(11)4-2/h3-4,6-8,12H,1,5H2,2H3/b8-7-,9-4+,10-6-
InChIKeyJLRIVKUGMGRNNC-PWJNUBNDSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol?
The IUPAC name of (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol (CID 89403049) is (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol.
What is the SMILES notation for (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol?
The canonical SMILES for (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol is C=CC/C=C(O)/C=C\C(F)=C/C.
What is the InChIKey of (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol?
The InChIKey is JLRIVKUGMGRNNC-PWJNUBNDSA-N. The full InChI is InChI=1S/C10H13FO/c1-3-5-6-10(12)8-7-9(11)4-2/h3-4,6-8,12H,1,5H2,2H3/b8-7-,9-4+,10-6-.
What are the key properties of (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol?
(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol has a molecular weight of 168.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol is sourced from PubChem (CID 89403049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).