(E)-oct-6-enoic acid

C8H14O2 — CID 5282721

IUPAC(E)-oct-6-enoic acid
SMILESC/C=C/CCCCC(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyOTJVLQGVNKNLCB-NSCUHMNNSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds5

About (E)-oct-6-enoic acid

(E)-oct-6-enoic acid (PubChem CID 5282721) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-oct-6-enoic acid.

Molecular Properties

Compound Name(E)-oct-6-enoic acid
PubChem CID5282721
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-oct-6-enoic acid
SMILESC/C=C/CCCCC(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyOTJVLQGVNKNLCB-NSCUHMNNSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
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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Related Compounds

Oleic Acid
CID 445639
Linolenic Acid
CID 5280934
Linoleic Acid
CID 5280450
Arachidonic Acid
CID 444899
Erucic Acid
CID 5281116
Elaidic Acid
CID 637517
Palmitoleic Acid
CID 445638
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Docosapentaenoic Acid
CID 5497182
Dihomo-Gamma-Linolenic Acid
CID 5280581
Linolelaidic Acid
CID 5282457

Frequently Asked Questions

What is the IUPAC name of (E)-oct-6-enoic acid?
The IUPAC name of (E)-oct-6-enoic acid (CID 5282721) is (E)-oct-6-enoic acid.
What is the SMILES notation for (E)-oct-6-enoic acid?
The canonical SMILES for (E)-oct-6-enoic acid is C/C=C/CCCCC(=O)O.
What is the InChIKey of (E)-oct-6-enoic acid?
The InChIKey is OTJVLQGVNKNLCB-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-oct-6-enoic acid?
(E)-oct-6-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-6-enoic acid is sourced from PubChem (CID 5282721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).