2-methyltetradeca-2,4-dienoic acid

C15H26O2 — CID 57126169

IUPAC2-methyltetradeca-2,4-dienoic acid
SMILESCCCCCCCCCC=CC=C(C)C(=O)O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyBQEKTCAKRBJCQL-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds10

About 2-methyltetradeca-2,4-dienoic acid

2-methyltetradeca-2,4-dienoic acid (PubChem CID 57126169) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyltetradeca-2,4-dienoic acid.

Molecular Properties

Compound Name2-methyltetradeca-2,4-dienoic acid
PubChem CID57126169
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyltetradeca-2,4-dienoic acid
SMILESCCCCCCCCCC=CC=C(C)C(=O)O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyBQEKTCAKRBJCQL-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyltetradeca-2,4-dienoic acid?
The IUPAC name of 2-methyltetradeca-2,4-dienoic acid (CID 57126169) is 2-methyltetradeca-2,4-dienoic acid.
What is the SMILES notation for 2-methyltetradeca-2,4-dienoic acid?
The canonical SMILES for 2-methyltetradeca-2,4-dienoic acid is CCCCCCCCCC=CC=C(C)C(=O)O.
What is the InChIKey of 2-methyltetradeca-2,4-dienoic acid?
The InChIKey is BQEKTCAKRBJCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyltetradeca-2,4-dienoic acid?
2-methyltetradeca-2,4-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltetradeca-2,4-dienoic acid is sourced from PubChem (CID 57126169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).