(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene

C13H19FO — CID 143562536

IUPAC(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene
SMILESC=C/C(C/C=C(/F)CC)=C(\C=C/C)OC
InChIInChI=1S/C13H19FO/c1-5-8-13(15-4)11(6-2)9-10-12(14)7-3/h5-6,8,10H,2,7,9H2,1,3-4H3/b8-5-,12-10+,13-11-
InChIKeyXHOVHCOBJURKER-BSGJSERFSA-N
MW210.29 g/mol
LogP4.30
Rot. Bonds6

About (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene

(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene (PubChem CID 143562536) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene.

Molecular Properties

Compound Name(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene
PubChem CID143562536
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene
SMILESC=C/C(C/C=C(/F)CC)=C(\C=C/C)OC
InChIInChI=1S/C13H19FO/c1-5-8-13(15-4)11(6-2)9-10-12(14)7-3/h5-6,8,10H,2,7,9H2,1,3-4H3/b8-5-,12-10+,13-11-
InChIKeyXHOVHCOBJURKER-BSGJSERFSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.30
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'}

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Related Compounds

2-[(1E,3E)-4-ethoxyhexa-1,3,5-trienyl]-1,5,6-trifluorocyclohexa-1,3-diene
CID 144087360
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Methoxydimethyloctadiene
CID 87220842
(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene
CID 129225625
2-methoxy-5H-indene
CID 136000266
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
Lithium 2-methoxy-3-methylbenzen-1-ide
CID 57533097
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene?
The IUPAC name of (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene (CID 143562536) is (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene.
What is the SMILES notation for (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene?
The canonical SMILES for (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene is C=C/C(C/C=C(/F)CC)=C(\C=C/C)OC.
What is the InChIKey of (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene?
The InChIKey is XHOVHCOBJURKER-BSGJSERFSA-N. The full InChI is InChI=1S/C13H19FO/c1-5-8-13(15-4)11(6-2)9-10-12(14)7-3/h5-6,8,10H,2,7,9H2,1,3-4H3/b8-5-,12-10+,13-11-.
What are the key properties of (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene?
(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene has a molecular weight of 210.29 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene is sourced from PubChem (CID 143562536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).