(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene

C25H37FO — CID 89146626

IUPAC(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
SMILESC=C/C=C(\C=C\C(CC)=C(/C=C/C)OC)CC/C(F)=C\C(=C/CC)CCC
InChIInChI=1S/C25H37FO/c1-7-12-21(16-18-23(11-5)25(27-6)15-10-4)17-19-24(26)20-22(13-8-2)14-9-3/h7,10,12-13,15-16,18,20H,1,8-9,11,14,17,19H2,2-6H3/b15-10+,18-16+,21-12+,22-13-,24-20+,25-23+
InChIKeyQQTVZKFVQZKNDI-BYYVGVRWSA-N
MW372.57 g/mol
LogP8.31
Rot. Bonds13

About (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene

(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene (PubChem CID 89146626) has the molecular formula C25H37FO and a molecular weight of 372.57 g/mol. Its IUPAC name is (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene.

Molecular Properties

Compound Name(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
PubChem CID89146626
Molecular FormulaC25H37FO
Molecular Weight372.57 g/mol
Exact Mass372.28
IUPAC Name(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
SMILESC=C/C=C(\C=C\C(CC)=C(/C=C/C)OC)CC/C(F)=C\C(=C/CC)CCC
InChIInChI=1S/C25H37FO/c1-7-12-21(16-18-23(11-5)25(27-6)15-10-4)17-19-24(26)20-22(13-8-2)14-9-3/h7,10,12-13,15-16,18,20H,1,8-9,11,14,17,19H2,2-6H3/b15-10+,18-16+,21-12+,22-13-,24-20+,25-23+
InChIKeyQQTVZKFVQZKNDI-BYYVGVRWSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene with MolForge

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Launch Full Analysis

Related Compounds

Methoxydimethyloctadiene
CID 87220842
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
(3E)-4-fluoro-2,6-dimethyl-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 88053607
(3E,5Z,8E,11Z)-9-ethynyl-5,6-difluoro-4-methoxytrideca-1,3,5,8,11-pentaene
CID 88997574
(5E)-5-[(Z)-1-methoxybut-2-enylidene]-6-methylidene-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89785782
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
4-Fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
CID 123173749
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230
5-(2-Fluoropropan-2-yloxy)-2,6-dimethylocta-1,3,5-triene
CID 123433108
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
6-Fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene
CID 123674969
1,6-Difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
CID 123722385

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene?
The IUPAC name of (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene (CID 89146626) is (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene.
What is the SMILES notation for (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene?
The canonical SMILES for (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene is C=C/C=C(\C=C\C(CC)=C(/C=C/C)OC)CC/C(F)=C\C(=C/CC)CCC.
What is the InChIKey of (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene?
The InChIKey is QQTVZKFVQZKNDI-BYYVGVRWSA-N. The full InChI is InChI=1S/C25H37FO/c1-7-12-21(16-18-23(11-5)25(27-6)15-10-4)17-19-24(26)20-22(13-8-2)14-9-3/h7,10,12-13,15-16,18,20H,1,8-9,11,14,17,19H2,2-6H3/b15-10+,18-16+,21-12+,22-13-,24-20+,25-23+.
What are the key properties of (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene?
(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene has a molecular weight of 372.57 g/mol, XLogP of 8.31, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene is sourced from PubChem (CID 89146626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).