(3Z,6Z)-hexadeca-3,6-dienoic acid

C16H28O2 — CID 87941729

IUPAC(3Z,6Z)-hexadeca-3,6-dienoic acid
SMILESCCCCCCCCC/C=C\C/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/h10-11,13-14H,2-9,12,15H2,1H3,(H,17,18)/b11-10-,14-13-
InChIKeySWDYIXUKRCAISA-XVTLYKPTSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds12

About (3Z,6Z)-hexadeca-3,6-dienoic acid

(3Z,6Z)-hexadeca-3,6-dienoic acid (PubChem CID 87941729) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3Z,6Z)-hexadeca-3,6-dienoic acid.

Molecular Properties

Compound Name(3Z,6Z)-hexadeca-3,6-dienoic acid
PubChem CID87941729
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3Z,6Z)-hexadeca-3,6-dienoic acid
SMILESCCCCCCCCC/C=C\C/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/h10-11,13-14H,2-9,12,15H2,1H3,(H,17,18)/b11-10-,14-13-
InChIKeySWDYIXUKRCAISA-XVTLYKPTSA-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,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
hexacosa-9,12-dienoic acid
CID 169276991
(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
CID 165313676
octatriaconta-20,23,26,29,32-pentaenoic acid
CID 75955171
(6E,9E)-hexadeca-6,9-dienoic acid
CID 5312424
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
(4E,7Z)-hexadeca-4,7-dienoic acid
CID 138137773
octacosa-10,13,16-trienoic acid
CID 169277248

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-hexadeca-3,6-dienoic acid?
The IUPAC name of (3Z,6Z)-hexadeca-3,6-dienoic acid (CID 87941729) is (3Z,6Z)-hexadeca-3,6-dienoic acid.
What is the SMILES notation for (3Z,6Z)-hexadeca-3,6-dienoic acid?
The canonical SMILES for (3Z,6Z)-hexadeca-3,6-dienoic acid is CCCCCCCCC/C=C\C/C=C\CC(=O)O.
What is the InChIKey of (3Z,6Z)-hexadeca-3,6-dienoic acid?
The InChIKey is SWDYIXUKRCAISA-XVTLYKPTSA-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/h10-11,13-14H,2-9,12,15H2,1H3,(H,17,18)/b11-10-,14-13-.
What are the key properties of (3Z,6Z)-hexadeca-3,6-dienoic acid?
(3Z,6Z)-hexadeca-3,6-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 (3Z,6Z)-hexadeca-3,6-dienoic acid is sourced from PubChem (CID 87941729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).