(Z)-8-phenyloct-4-enoic acid

C14H18O2 — CID 153484884

IUPAC(Z)-8-phenyloct-4-enoic acid
SMILESO=C(O)CC/C=C\CCCc1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)/b3-1-
InChIKeyOZVXSKKGSPDWPG-IWQZZHSRSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds7

About (Z)-8-phenyloct-4-enoic acid

(Z)-8-phenyloct-4-enoic acid (PubChem CID 153484884) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-8-phenyloct-4-enoic acid.

Molecular Properties

Compound Name(Z)-8-phenyloct-4-enoic acid
PubChem CID153484884
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(Z)-8-phenyloct-4-enoic acid
SMILESO=C(O)CC/C=C\CCCc1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)/b3-1-
InChIKeyOZVXSKKGSPDWPG-IWQZZHSRSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-phenyloct-4-enoic acid?
The IUPAC name of (Z)-8-phenyloct-4-enoic acid (CID 153484884) is (Z)-8-phenyloct-4-enoic acid.
What is the SMILES notation for (Z)-8-phenyloct-4-enoic acid?
The canonical SMILES for (Z)-8-phenyloct-4-enoic acid is O=C(O)CC/C=C\CCCc1ccccc1.
What is the InChIKey of (Z)-8-phenyloct-4-enoic acid?
The InChIKey is OZVXSKKGSPDWPG-IWQZZHSRSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)/b3-1-.
What are the key properties of (Z)-8-phenyloct-4-enoic acid?
(Z)-8-phenyloct-4-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-phenyloct-4-enoic acid is sourced from PubChem (CID 153484884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).