(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene

C21H32 — CID 6442734

IUPAC(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene
SMILESCC/C=C/C/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/h5-8,11-14,17-20H,3-4,9-10,15-16,21H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
InChIKeyAMGFAFLDDFGVIQ-NWUVBWGCSA-N
MW284.49 g/mol
LogP7.09
Rot. Bonds12

About (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene

(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene (PubChem CID 6442734) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene.

Molecular Properties

Compound Name(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene
PubChem CID6442734
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene
SMILESCC/C=C/C/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/h5-8,11-14,17-20H,3-4,9-10,15-16,21H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
InChIKeyAMGFAFLDDFGVIQ-NWUVBWGCSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene?
The IUPAC name of (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene (CID 6442734) is (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene.
What is the SMILES notation for (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene?
The canonical SMILES for (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC.
What is the InChIKey of (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene?
The InChIKey is AMGFAFLDDFGVIQ-NWUVBWGCSA-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/h5-8,11-14,17-20H,3-4,9-10,15-16,21H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+.
What are the key properties of (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene?
(3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene has a molecular weight of 284.49 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,9E,12E,15E,18E)-henicosa-3,6,9,12,15,18-hexaene is sourced from PubChem (CID 6442734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).