(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid

C14H21FO2 — CID 145057784

IUPAC(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
SMILESC=C/C(CC(=O)O)=C(F)\C(=C/C)CCCCC
InChIInChI=1S/C14H21FO2/c1-4-7-8-9-11(5-2)14(15)12(6-3)10-13(16)17/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)/b11-5-,14-12-
InChIKeyBBXURXSIQWEDTJ-FAINUNLVSA-N
MW240.32 g/mol
LogP4.40
Rot. Bonds8

About (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid

(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid (PubChem CID 145057784) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid.

Molecular Properties

Compound Name(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
PubChem CID145057784
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
SMILESC=C/C(CC(=O)O)=C(F)\C(=C/C)CCCCC
InChIInChI=1S/C14H21FO2/c1-4-7-8-9-11(5-2)14(15)12(6-3)10-13(16)17/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)/b11-5-,14-12-
InChIKeyBBXURXSIQWEDTJ-FAINUNLVSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-ethylideneicosanoic acid
CID 130276561
octadecanoic acid;bis(prop-2-enoic acid);zinc
CID 173129108
3-ethylideneoct-1-ene
CID 91511297
ethenol;octadecanoic acid
CID 87216470
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
prop-2-enoic acid;undecan-6-one
CID 122573755
acetic acid;2-ethylideneheptanoic acid
CID 161103841
2-methylbuta-1,3-diene;octanoic acid
CID 87329143
octadecanoic acid;propanedioic acid
CID 159340862
3-methylidenetetradecanoic acid
CID 89137857
ethenylsilane;tetradecanoic acid
CID 158229930
ethenylsilane;tris(octadecanoic acid)
CID 159903222

Frequently Asked Questions

What is the IUPAC name of (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid?
The IUPAC name of (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid (CID 145057784) is (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid.
What is the SMILES notation for (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid?
The canonical SMILES for (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid is C=C/C(CC(=O)O)=C(F)\C(=C/C)CCCCC.
What is the InChIKey of (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid?
The InChIKey is BBXURXSIQWEDTJ-FAINUNLVSA-N. The full InChI is InChI=1S/C14H21FO2/c1-4-7-8-9-11(5-2)14(15)12(6-3)10-13(16)17/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)/b11-5-,14-12-.
What are the key properties of (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid?
(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid has a molecular weight of 240.32 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid is sourced from PubChem (CID 145057784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).