11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene

C17H27F — CID 123748122

IUPAC11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene
SMILESC=C(CC=CC(F)CCC)C(C)=CC=C(C)CC
InChIInChI=1S/C17H27F/c1-6-9-17(18)11-8-10-15(4)16(5)13-12-14(3)7-2/h8,11-13,17H,4,6-7,9-10H2,1-3,5H3
InChIKeyGHLXOWFJOOLRLJ-UHFFFAOYSA-N
MW250.40 g/mol
LogP5.93
Rot. Bonds8

About 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene

11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene (PubChem CID 123748122) has the molecular formula C17H27F and a molecular weight of 250.40 g/mol. Its IUPAC name is 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene.

Molecular Properties

Compound Name11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene
PubChem CID123748122
Molecular FormulaC17H27F
Molecular Weight250.40 g/mol
Exact Mass250.21
IUPAC Name11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene
SMILESC=C(CC=CC(F)CCC)C(C)=CC=C(C)CC
InChIInChI=1S/C17H27F/c1-6-9-17(18)11-8-10-15(4)16(5)13-12-14(3)7-2/h8,11-13,17H,4,6-7,9-10H2,1-3,5H3
InChIKeyGHLXOWFJOOLRLJ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Lycopene
CID 446925
Myrcene
CID 31253
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
15-cis-Phytoene
CID 9963391

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene?
The IUPAC name of 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene (CID 123748122) is 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene.
What is the SMILES notation for 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene?
The canonical SMILES for 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene is C=C(CC=CC(F)CCC)C(C)=CC=C(C)CC.
What is the InChIKey of 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene?
The InChIKey is GHLXOWFJOOLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F/c1-6-9-17(18)11-8-10-15(4)16(5)13-12-14(3)7-2/h8,11-13,17H,4,6-7,9-10H2,1-3,5H3.
What are the key properties of 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene?
11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene has a molecular weight of 250.40 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene is sourced from PubChem (CID 123748122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).