(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

C20H23FO2 — CID 145380881

IUPAC(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C=C\C(=C)OC)OC
InChIInChI=1S/C20H23FO2/c1-14(9-11-17(4)22-7)16(3)13-20(21)19(6)15(2)10-12-18(5)23-8/h9-13H,1-6H2,7-8H3/b11-9-,12-10-,20-13+
InChIKeyWLYHPSRWVRVJSW-ZSSVHQDYSA-N
MW314.40 g/mol
LogP5.50
Rot. Bonds10

About (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (PubChem CID 145380881) has the molecular formula C20H23FO2 and a molecular weight of 314.40 g/mol. Its IUPAC name is (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.

Molecular Properties

Compound Name(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
PubChem CID145380881
Molecular FormulaC20H23FO2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC Name(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C=C\C(=C)OC)OC
InChIInChI=1S/C20H23FO2/c1-14(9-11-17(4)22-7)16(3)13-20(21)19(6)15(2)10-12-18(5)23-8/h9-13H,1-6H2,7-8H3/b11-9-,12-10-,20-13+
InChIKeyWLYHPSRWVRVJSW-ZSSVHQDYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene with MolForge

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Related Compounds

Methoxydimethyloctadiene
CID 87220842
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CID 88053607
(3E,5Z,8E,11Z)-9-ethynyl-5,6-difluoro-4-methoxytrideca-1,3,5,8,11-pentaene
CID 88997574
(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
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
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
2-(1-Fluoroethoxy)-5-methylhexa-1,3,5-triene
CID 123750418
5-(2-Fluoropropan-2-yloxy)-2,6-dimethylhepta-1,3,5-triene
CID 123770155

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The IUPAC name of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (CID 145380881) is (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.
What is the SMILES notation for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The canonical SMILES for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C=C\C(=C)OC)OC.
What is the InChIKey of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The InChIKey is WLYHPSRWVRVJSW-ZSSVHQDYSA-N. The full InChI is InChI=1S/C20H23FO2/c1-14(9-11-17(4)22-7)16(3)13-20(21)19(6)15(2)10-12-18(5)23-8/h9-13H,1-6H2,7-8H3/b11-9-,12-10-,20-13+.
What are the key properties of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene has a molecular weight of 314.40 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is sourced from PubChem (CID 145380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).