(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C23H35FO3 — CID 145122704

IUPAC(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C23H35FO3/c1-16(2)10-11-17(3)18(4)14-22(24)20(6)19(5)15-23(21(7)26-9)27-13-12-25-8/h14-17H,4-7,10-13H2,1-3,8-9H3/b22-14+,23-15+
InChIKeyHBCUJOQQTJUICA-HOFJZWJUSA-N
MW378.53 g/mol
LogP6.29
Rot. Bonds14

About (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 145122704) has the molecular formula C23H35FO3 and a molecular weight of 378.53 g/mol. Its IUPAC name is (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

Compound Name(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
PubChem CID145122704
Molecular FormulaC23H35FO3
Molecular Weight378.53 g/mol
Exact Mass378.26
IUPAC Name(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C23H35FO3/c1-16(2)10-11-17(3)18(4)14-22(24)20(6)19(5)15-23(21(7)26-9)27-13-12-25-8/h14-17H,4-7,10-13H2,1-3,8-9H3/b22-14+,23-15+
InChIKeyHBCUJOQQTJUICA-HOFJZWJUSA-N
XLogP6.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The IUPAC name of (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 145122704) is (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.
What is the SMILES notation for (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The canonical SMILES for (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C(\OCCOC)C(=C)OC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C.
What is the InChIKey of (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The InChIKey is HBCUJOQQTJUICA-HOFJZWJUSA-N. The full InChI is InChI=1S/C23H35FO3/c1-16(2)10-11-17(3)18(4)14-22(24)20(6)19(5)15-23(21(7)26-9)27-13-12-25-8/h14-17H,4-7,10-13H2,1-3,8-9H3/b22-14+,23-15+.
What are the key properties of (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
(3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 378.53 g/mol, XLogP of 6.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-7-fluoro-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 145122704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).