(2E)-octa-2,7-dienoic acid

C8H12O2 — CID 15356128

IUPAC(2E)-octa-2,7-dienoic acid
SMILESC=CCCC/C=C/C(=O)O
InChIInChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/b7-6+
InChIKeyNZEBVMIRSIBPJJ-VOTSOKGWSA-N
MW140.18 g/mol
LogP1.98
Rot. Bonds5

About (2E)-octa-2,7-dienoic acid

(2E)-octa-2,7-dienoic acid (PubChem CID 15356128) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2E)-octa-2,7-dienoic acid.

Molecular Properties

Compound Name(2E)-octa-2,7-dienoic acid
PubChem CID15356128
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2E)-octa-2,7-dienoic acid
SMILESC=CCCC/C=C/C(=O)O
InChIInChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/b7-6+
InChIKeyNZEBVMIRSIBPJJ-VOTSOKGWSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.98
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-octa-2,7-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Geranic acid
CID 5275520
trans-2-Pentenoic acid
CID 638122
trans-2-Octenoic acid
CID 5282714
Hexadecenoic Acid
CID 5282743
2-Hexenoic acid, (2E)-
CID 5282707
trans-2-Decenoic acid
CID 5282724
3,7-Dimethylocta-2,6-dienoic acid
CID 9989
2-Heptenoic acid
CID 5282709
Dodec-2-enoic acid
CID 5282729
4-Methyl-2-pentenoic acid
CID 12216200
2-Hexenoic acid
CID 14486
2-Decenoic acid
CID 94282

Frequently Asked Questions

What is the IUPAC name of (2E)-octa-2,7-dienoic acid?
The IUPAC name of (2E)-octa-2,7-dienoic acid (CID 15356128) is (2E)-octa-2,7-dienoic acid.
What is the SMILES notation for (2E)-octa-2,7-dienoic acid?
The canonical SMILES for (2E)-octa-2,7-dienoic acid is C=CCCC/C=C/C(=O)O.
What is the InChIKey of (2E)-octa-2,7-dienoic acid?
The InChIKey is NZEBVMIRSIBPJJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/b7-6+.
What are the key properties of (2E)-octa-2,7-dienoic acid?
(2E)-octa-2,7-dienoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-octa-2,7-dienoic acid is sourced from PubChem (CID 15356128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).