pentadeca-2,4-dienoic acid

C15H26O2 — CID 54493784

IUPACpentadeca-2,4-dienoic acid
SMILESCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyXXQINHWMBIXTGY-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds11

About pentadeca-2,4-dienoic acid

pentadeca-2,4-dienoic acid (PubChem CID 54493784) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is pentadeca-2,4-dienoic acid.

Molecular Properties

Compound Namepentadeca-2,4-dienoic acid
PubChem CID54493784
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namepentadeca-2,4-dienoic acid
SMILESCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyXXQINHWMBIXTGY-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
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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Related Compounds

(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
azane;dodeca-2,4-dienoic acid
CID 174563549
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
heptadeca-2,4,6-trienoic acid
CID 54182900

Frequently Asked Questions

What is the IUPAC name of pentadeca-2,4-dienoic acid?
The IUPAC name of pentadeca-2,4-dienoic acid (CID 54493784) is pentadeca-2,4-dienoic acid.
What is the SMILES notation for pentadeca-2,4-dienoic acid?
The canonical SMILES for pentadeca-2,4-dienoic acid is CCCCCCCCCCC=CC=CC(=O)O.
What is the InChIKey of pentadeca-2,4-dienoic acid?
The InChIKey is XXQINHWMBIXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17).
What are the key properties of pentadeca-2,4-dienoic acid?
pentadeca-2,4-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-2,4-dienoic acid is sourced from PubChem (CID 54493784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).