(3E)-hexadeca-3,14-dienoic acid

C16H28O2 — CID 175109549

IUPAC(3E)-hexadeca-3,14-dienoic acid
SMILESCC=CCCCCCCCCC/C=C/CC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,13-14H,4-12,15H2,1H3,(H,17,18)/b3-2?,14-13+
InChIKeyGQLJPAGHEISIAC-KMAPXJIQSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds12

About (3E)-hexadeca-3,14-dienoic acid

(3E)-hexadeca-3,14-dienoic acid (PubChem CID 175109549) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3E)-hexadeca-3,14-dienoic acid.

Molecular Properties

Compound Name(3E)-hexadeca-3,14-dienoic acid
PubChem CID175109549
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3E)-hexadeca-3,14-dienoic acid
SMILESCC=CCCCCCCCCC/C=C/CC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,13-14H,4-12,15H2,1H3,(H,17,18)/b3-2?,14-13+
InChIKeyGQLJPAGHEISIAC-KMAPXJIQSA-N
XLogP5.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
icosa-3,11,17-trienoic acid
CID 162425893
oct-3-enedioic acid
CID 162155605
octadeca-3,6,9-trienedioic acid
CID 54105709
hentriaconta-2,10,29-triene
CID 150025785
icosa-2,10,18-triene
CID 74063823
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
azane;butanediamide;tetradec-3-enoic acid
CID 174984543
octacosa-20,23,26-trienoic acid
CID 169277364
henicosa-13,16,19-trienoic acid
CID 169277363

Frequently Asked Questions

What is the IUPAC name of (3E)-hexadeca-3,14-dienoic acid?
The IUPAC name of (3E)-hexadeca-3,14-dienoic acid (CID 175109549) is (3E)-hexadeca-3,14-dienoic acid.
What is the SMILES notation for (3E)-hexadeca-3,14-dienoic acid?
The canonical SMILES for (3E)-hexadeca-3,14-dienoic acid is CC=CCCCCCCCCC/C=C/CC(=O)O.
What is the InChIKey of (3E)-hexadeca-3,14-dienoic acid?
The InChIKey is GQLJPAGHEISIAC-KMAPXJIQSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,13-14H,4-12,15H2,1H3,(H,17,18)/b3-2?,14-13+.
What are the key properties of (3E)-hexadeca-3,14-dienoic acid?
(3E)-hexadeca-3,14-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-hexadeca-3,14-dienoic acid is sourced from PubChem (CID 175109549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).