(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene

C25H37FO2 — CID 145121954

IUPAC(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene
SMILESC=C(/C=C(/OCCOC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)/C=C\C(C)CC
InChIInChI=1S/C25H37FO2/c1-10-18(3)12-13-20(5)21(6)16-24(26)23(8)22(7)17-25(19(4)11-2)28-15-14-27-9/h12-13,16-18,20H,4,6-8,10-11,14-15H2,1-3,5,9H3/b13-12-,24-16+,25-17+
InChIKeyMDWFVBOLFCTDEE-BQIZTCNYSA-N
MW388.57 g/mol
LogP7.26
Rot. Bonds14

About (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene

(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene (PubChem CID 145121954) has the molecular formula C25H37FO2 and a molecular weight of 388.57 g/mol. Its IUPAC name is (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene.

Molecular Properties

Compound Name(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene
PubChem CID145121954
Molecular FormulaC25H37FO2
Molecular Weight388.57 g/mol
Exact Mass388.28
IUPAC Name(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene
SMILESC=C(/C=C(/OCCOC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)/C=C\C(C)CC
InChIInChI=1S/C25H37FO2/c1-10-18(3)12-13-20(5)21(6)16-24(26)23(8)22(7)17-25(19(4)11-2)28-15-14-27-9/h12-13,16-18,20H,4,6-8,10-11,14-15H2,1-3,5,9H3/b13-12-,24-16+,25-17+
InChIKeyMDWFVBOLFCTDEE-BQIZTCNYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene?
The IUPAC name of (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene (CID 145121954) is (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene.
What is the SMILES notation for (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene?
The canonical SMILES for (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene is C=C(/C=C(/OCCOC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)/C=C\C(C)CC.
What is the InChIKey of (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene?
The InChIKey is MDWFVBOLFCTDEE-BQIZTCNYSA-N. The full InChI is InChI=1S/C25H37FO2/c1-10-18(3)12-13-20(5)21(6)16-24(26)23(8)22(7)17-25(19(4)11-2)28-15-14-27-9/h12-13,16-18,20H,4,6-8,10-11,14-15H2,1-3,5,9H3/b13-12-,24-16+,25-17+.
What are the key properties of (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene?
(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene has a molecular weight of 388.57 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene is sourced from PubChem (CID 145121954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).