(2E,4Z)-2-hexyldeca-2,4-dienoic acid

C16H28O2 — CID 87447693

IUPAC(2E,4Z)-2-hexyldeca-2,4-dienoic acid
SMILESCCCCC/C=C\C=C(/CCCCCC)C(=O)O
InChIInChI=1S/C16H28O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,17,18)/b12-10-,15-14+
InChIKeyZPWFCRFEZNWTLX-OCSPJGFWSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds11

About (2E,4Z)-2-hexyldeca-2,4-dienoic acid

(2E,4Z)-2-hexyldeca-2,4-dienoic acid (PubChem CID 87447693) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2E,4Z)-2-hexyldeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-2-hexyldeca-2,4-dienoic acid
PubChem CID87447693
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2E,4Z)-2-hexyldeca-2,4-dienoic acid
SMILESCCCCC/C=C\C=C(/CCCCCC)C(=O)O
InChIInChI=1S/C16H28O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,17,18)/b12-10-,15-14+
InChIKeyZPWFCRFEZNWTLX-OCSPJGFWSA-N
XLogP5.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.10
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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-hexyldeca-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-2-hexyldeca-2,4-dienoic acid (CID 87447693) is (2E,4Z)-2-hexyldeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-2-hexyldeca-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-2-hexyldeca-2,4-dienoic acid is CCCCC/C=C\C=C(/CCCCCC)C(=O)O.
What is the InChIKey of (2E,4Z)-2-hexyldeca-2,4-dienoic acid?
The InChIKey is ZPWFCRFEZNWTLX-OCSPJGFWSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,17,18)/b12-10-,15-14+.
What are the key properties of (2E,4Z)-2-hexyldeca-2,4-dienoic acid?
(2E,4Z)-2-hexyldeca-2,4-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-hexyldeca-2,4-dienoic acid is sourced from PubChem (CID 87447693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).