(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene

C21H32 — CID 11460308

IUPAC(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene
SMILESC=CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C21H32/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,6,8,11-14,17-20H,1,4-5,7,9-10,15-16,21H2,2H3/b8-6-,13-11-,14-12-,19-17-,20-18-
InChIKeyFDYJPTFUAQLZOU-DYXXURTGSA-N
MW284.49 g/mol
LogP7.09
Rot. Bonds13

About (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene

(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene (PubChem CID 11460308) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene.

Molecular Properties

Compound Name(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene
PubChem CID11460308
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene
SMILESC=CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C21H32/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,6,8,11-14,17-20H,1,4-5,7,9-10,15-16,21H2,2H3/b8-6-,13-11-,14-12-,19-17-,20-18-
InChIKeyFDYJPTFUAQLZOU-DYXXURTGSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 57.09
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,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene?
The IUPAC name of (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene (CID 11460308) is (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene.
What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene?
The canonical SMILES for (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene is C=CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.
What is the InChIKey of (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene?
The InChIKey is FDYJPTFUAQLZOU-DYXXURTGSA-N. The full InChI is InChI=1S/C21H32/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,6,8,11-14,17-20H,1,4-5,7,9-10,15-16,21H2,2H3/b8-6-,13-11-,14-12-,19-17-,20-18-.
What are the key properties of (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene?
(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene has a molecular weight of 284.49 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene is sourced from PubChem (CID 11460308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).