(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene

C23H35FO — CID 145122429

IUPAC(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene
SMILESC=C(/C=C(/COC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C
InChIInChI=1S/C23H35FO/c1-10-17(4)22(15-25-9)13-20(7)21(8)23(24)14-19(6)18(5)12-11-16(2)3/h13-14,16,18H,4,6-8,10-12,15H2,1-3,5,9H3/b22-13-,23-14+
InChIKeyMMBIWQRFKAXVAI-BQGZOASHSA-N
MW346.53 g/mol
LogP7.12
Rot. Bonds12

About (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene

(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene (PubChem CID 145122429) has the molecular formula C23H35FO and a molecular weight of 346.53 g/mol. Its IUPAC name is (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene.

Molecular Properties

Compound Name(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene
PubChem CID145122429
Molecular FormulaC23H35FO
Molecular Weight346.53 g/mol
Exact Mass346.27
IUPAC Name(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene
SMILESC=C(/C=C(/COC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C
InChIInChI=1S/C23H35FO/c1-10-17(4)22(15-25-9)13-20(7)21(8)23(24)14-19(6)18(5)12-11-16(2)3/h13-14,16,18H,4,6-8,10-12,15H2,1-3,5,9H3/b22-13-,23-14+
InChIKeyMMBIWQRFKAXVAI-BQGZOASHSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.53
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene?
The IUPAC name of (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene (CID 145122429) is (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene.
What is the SMILES notation for (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene?
The canonical SMILES for (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene is C=C(/C=C(/COC)C(=C)CC)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C.
What is the InChIKey of (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene?
The InChIKey is MMBIWQRFKAXVAI-BQGZOASHSA-N. The full InChI is InChI=1S/C23H35FO/c1-10-17(4)22(15-25-9)13-20(7)21(8)23(24)14-19(6)18(5)12-11-16(2)3/h13-14,16,18H,4,6-8,10-12,15H2,1-3,5,9H3/b22-13-,23-14+.
What are the key properties of (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene?
(4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene has a molecular weight of 346.53 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-8-fluoro-4-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene is sourced from PubChem (CID 145122429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).