(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene

C20H27FO — CID 146564216

IUPAC(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
SMILESC=C(/C=C(C)\C(=C/C)C(=C)OC)C(=C)/C=C(C)/C(F)=C\CC
InChIInChI=1S/C20H27FO/c1-9-11-20(21)17(6)13-15(4)14(3)12-16(5)19(10-2)18(7)22-8/h10-13H,3-4,7,9H2,1-2,5-6,8H3/b16-12-,17-13-,19-10+,20-11+
InChIKeyJVZZESDRZLHDDB-BOFRSKJQSA-N
MW302.43 g/mol
LogP6.36
Rot. Bonds8

About (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene

(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene (PubChem CID 146564216) has the molecular formula C20H27FO and a molecular weight of 302.43 g/mol. Its IUPAC name is (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene.

Molecular Properties

Compound Name(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
PubChem CID146564216
Molecular FormulaC20H27FO
Molecular Weight302.43 g/mol
Exact Mass302.20
IUPAC Name(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
SMILESC=C(/C=C(C)\C(=C/C)C(=C)OC)C(=C)/C=C(C)/C(F)=C\CC
InChIInChI=1S/C20H27FO/c1-9-11-20(21)17(6)13-15(4)14(3)12-16(5)19(10-2)18(7)22-8/h10-13H,3-4,7,9H2,1-2,5-6,8H3/b16-12-,17-13-,19-10+,20-11+
InChIKeyJVZZESDRZLHDDB-BOFRSKJQSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.43
LogP ≤ 56.36
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 (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene 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 (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene?
The IUPAC name of (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene (CID 146564216) is (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene.
What is the SMILES notation for (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene?
The canonical SMILES for (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene is C=C(/C=C(C)\C(=C/C)C(=C)OC)C(=C)/C=C(C)/C(F)=C\CC.
What is the InChIKey of (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene?
The InChIKey is JVZZESDRZLHDDB-BOFRSKJQSA-N. The full InChI is InChI=1S/C20H27FO/c1-9-11-20(21)17(6)13-15(4)14(3)12-16(5)19(10-2)18(7)22-8/h10-13H,3-4,7,9H2,1-2,5-6,8H3/b16-12-,17-13-,19-10+,20-11+.
What are the key properties of (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene?
(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene has a molecular weight of 302.43 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene is sourced from PubChem (CID 146564216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).