(6Z,9Z)-octadeca-6,9-dienedioic acid

C18H30O4 — CID 25156710

IUPAC(6Z,9Z)-octadeca-6,9-dienedioic acid
SMILESO=C(O)CCCC/C=C\C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-
InChIKeyUANZCTRZDQLPDX-PQZOIKATSA-N
MW310.43 g/mol
LogP4.95
Rot. Bonds15

About (6Z,9Z)-octadeca-6,9-dienedioic acid

(6Z,9Z)-octadeca-6,9-dienedioic acid (PubChem CID 25156710) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (6Z,9Z)-octadeca-6,9-dienedioic acid.

Molecular Properties

Compound Name(6Z,9Z)-octadeca-6,9-dienedioic acid
PubChem CID25156710
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(6Z,9Z)-octadeca-6,9-dienedioic acid
SMILESO=C(O)CCCC/C=C\C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-
InChIKeyUANZCTRZDQLPDX-PQZOIKATSA-N
XLogP4.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-octadeca-6,9-dienedioic acid?
The IUPAC name of (6Z,9Z)-octadeca-6,9-dienedioic acid (CID 25156710) is (6Z,9Z)-octadeca-6,9-dienedioic acid.
What is the SMILES notation for (6Z,9Z)-octadeca-6,9-dienedioic acid?
The canonical SMILES for (6Z,9Z)-octadeca-6,9-dienedioic acid is O=C(O)CCCC/C=C\C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (6Z,9Z)-octadeca-6,9-dienedioic acid?
The InChIKey is UANZCTRZDQLPDX-PQZOIKATSA-N. The full InChI is InChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-.
What are the key properties of (6Z,9Z)-octadeca-6,9-dienedioic acid?
(6Z,9Z)-octadeca-6,9-dienedioic acid has a molecular weight of 310.43 g/mol, XLogP of 4.95, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-octadeca-6,9-dienedioic acid is sourced from PubChem (CID 25156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).