(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol

C10H15FO — CID 144783117

IUPAC(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol
SMILESCC(C)C/C=C/C=C(O)\C=C/F
InChIInChI=1S/C10H15FO/c1-9(2)5-3-4-6-10(12)7-8-11/h3-4,6-9,12H,5H2,1-2H3/b4-3+,8-7-,10-6+
InChIKeyZXOLLFLMIRZBRJ-UGSIKWSXSA-N
MW170.23 g/mol
LogP3.51
Rot. Bonds4

About (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol

(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol (PubChem CID 144783117) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol
PubChem CID144783117
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol
SMILESCC(C)C/C=C/C=C(O)\C=C/F
InChIInChI=1S/C10H15FO/c1-9(2)5-3-4-6-10(12)7-8-11/h3-4,6-9,12H,5H2,1-2H3/b4-3+,8-7-,10-6+
InChIKeyZXOLLFLMIRZBRJ-UGSIKWSXSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol?
The IUPAC name of (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol (CID 144783117) is (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol.
What is the SMILES notation for (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol?
The canonical SMILES for (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol is CC(C)C/C=C/C=C(O)\C=C/F.
What is the InChIKey of (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol?
The InChIKey is ZXOLLFLMIRZBRJ-UGSIKWSXSA-N. The full InChI is InChI=1S/C10H15FO/c1-9(2)5-3-4-6-10(12)7-8-11/h3-4,6-9,12H,5H2,1-2H3/b4-3+,8-7-,10-6+.
What are the key properties of (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol?
(1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol has a molecular weight of 170.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-1-fluoro-8-methylnona-1,3,5-trien-3-ol is sourced from PubChem (CID 144783117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).