(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene

C19H32 — CID 6440707

IUPAC(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
SMILESC=C/C=C\C/C=C\C/C=C\CCCCCCCCC
InChIInChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18H2,2H3/b7-5-,13-11-,19-17-
InChIKeyRDRCFYBWAIFESA-JTBMWNAQSA-N
MW260.47 g/mol
LogP6.76
Rot. Bonds13

About (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene

(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene (PubChem CID 6440707) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene.

Molecular Properties

Compound Name(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
PubChem CID6440707
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
SMILESC=C/C=C\C/C=C\C/C=C\CCCCCCCCC
InChIInChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18H2,2H3/b7-5-,13-11-,19-17-
InChIKeyRDRCFYBWAIFESA-JTBMWNAQSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.76
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene?
The IUPAC name of (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene (CID 6440707) is (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene.
What is the SMILES notation for (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene?
The canonical SMILES for (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene is C=C/C=C\C/C=C\C/C=C\CCCCCCCCC.
What is the InChIKey of (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene?
The InChIKey is RDRCFYBWAIFESA-JTBMWNAQSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18H2,2H3/b7-5-,13-11-,19-17-.
What are the key properties of (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene?
(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene has a molecular weight of 260.47 g/mol, XLogP of 6.76, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene is sourced from PubChem (CID 6440707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).