(6Z,9Z,12Z)-nonadeca-6,9,12-triene

C19H34 — CID 56936137

IUPAC(6Z,9Z,12Z)-nonadeca-6,9,12-triene
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCC
InChIInChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19H,3-10,12,15,18H2,1-2H3/b13-11-,16-14-,19-17-
InChIKeyJJWUFROECSXGGK-PNBIJBBKSA-N
MW262.48 g/mol
LogP6.99
Rot. Bonds13

About (6Z,9Z,12Z)-nonadeca-6,9,12-triene

(6Z,9Z,12Z)-nonadeca-6,9,12-triene (PubChem CID 56936137) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is (6Z,9Z,12Z)-nonadeca-6,9,12-triene.

Molecular Properties

Compound Name(6Z,9Z,12Z)-nonadeca-6,9,12-triene
PubChem CID56936137
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name(6Z,9Z,12Z)-nonadeca-6,9,12-triene
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCC
InChIInChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19H,3-10,12,15,18H2,1-2H3/b13-11-,16-14-,19-17-
InChIKeyJJWUFROECSXGGK-PNBIJBBKSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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,12Z)-nonadeca-6,9,12-triene?
The IUPAC name of (6Z,9Z,12Z)-nonadeca-6,9,12-triene (CID 56936137) is (6Z,9Z,12Z)-nonadeca-6,9,12-triene.
What is the SMILES notation for (6Z,9Z,12Z)-nonadeca-6,9,12-triene?
The canonical SMILES for (6Z,9Z,12Z)-nonadeca-6,9,12-triene is CCCCC/C=C\C/C=C\C/C=C\CCCCCC.
What is the InChIKey of (6Z,9Z,12Z)-nonadeca-6,9,12-triene?
The InChIKey is JJWUFROECSXGGK-PNBIJBBKSA-N. The full InChI is InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19H,3-10,12,15,18H2,1-2H3/b13-11-,16-14-,19-17-.
What are the key properties of (6Z,9Z,12Z)-nonadeca-6,9,12-triene?
(6Z,9Z,12Z)-nonadeca-6,9,12-triene has a molecular weight of 262.48 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z)-nonadeca-6,9,12-triene is sourced from PubChem (CID 56936137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).