(6Z,10Z)-octadeca-6,10-dienoic acid

C18H32O2 — CID 87830087

IUPAC(6Z,10Z)-octadeca-6,10-dienoic acid
SMILESCCCCCCC/C=C\CC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,12-13H,2-7,10-11,14-17H2,1H3,(H,19,20)/b9-8-,13-12-
InChIKeyVHWOFKOZZDNTLJ-OZKAYXIQSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (6Z,10Z)-octadeca-6,10-dienoic acid

(6Z,10Z)-octadeca-6,10-dienoic acid (PubChem CID 87830087) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (6Z,10Z)-octadeca-6,10-dienoic acid.

Molecular Properties

Compound Name(6Z,10Z)-octadeca-6,10-dienoic acid
PubChem CID87830087
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(6Z,10Z)-octadeca-6,10-dienoic acid
SMILESCCCCCCC/C=C\CC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,12-13H,2-7,10-11,14-17H2,1H3,(H,19,20)/b9-8-,13-12-
InChIKeyVHWOFKOZZDNTLJ-OZKAYXIQSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.88
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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of (6Z,10Z)-octadeca-6,10-dienoic acid?
The IUPAC name of (6Z,10Z)-octadeca-6,10-dienoic acid (CID 87830087) is (6Z,10Z)-octadeca-6,10-dienoic acid.
What is the SMILES notation for (6Z,10Z)-octadeca-6,10-dienoic acid?
The canonical SMILES for (6Z,10Z)-octadeca-6,10-dienoic acid is CCCCCCC/C=C\CC/C=C\CCCCC(=O)O.
What is the InChIKey of (6Z,10Z)-octadeca-6,10-dienoic acid?
The InChIKey is VHWOFKOZZDNTLJ-OZKAYXIQSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,12-13H,2-7,10-11,14-17H2,1H3,(H,19,20)/b9-8-,13-12-.
What are the key properties of (6Z,10Z)-octadeca-6,10-dienoic acid?
(6Z,10Z)-octadeca-6,10-dienoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10Z)-octadeca-6,10-dienoic acid is sourced from PubChem (CID 87830087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).