henicosa-1,6,9,12,15,18-hexaene

C21H32 — CID 72970257

IUPAChenicosa-1,6,9,12,15,18-hexaene
SMILESC=CCCCC=CCC=CCC=CCC=CCC=CCC
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
InChIKeyFDYJPTFUAQLZOU-UHFFFAOYSA-N
MW284.49 g/mol
LogP7.09
Rot. Bonds13

About henicosa-1,6,9,12,15,18-hexaene

henicosa-1,6,9,12,15,18-hexaene (PubChem CID 72970257) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is henicosa-1,6,9,12,15,18-hexaene.

Molecular Properties

Compound Namehenicosa-1,6,9,12,15,18-hexaene
PubChem CID72970257
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Namehenicosa-1,6,9,12,15,18-hexaene
SMILESC=CCCCC=CCC=CCC=CCC=CCC=CCC
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
InChIKeyFDYJPTFUAQLZOU-UHFFFAOYSA-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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Related Compounds

Squalene
CID 638072
(Z)-9-Tricosene
CID 5365075
2-Octene
CID 5364448
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
trans-5-Decene
CID 637820
(E)-4-Undecene
CID 5358315
cis-2-Octene
CID 5356796
2,4-Nonadiene
CID 521755
3-Nonene, (3Z)-
CID 5364453
trans-3-Octene
CID 638228
(Z)-3-Octene
CID 5362722
3-Nonene, (3E)-
CID 5364445

Frequently Asked Questions

What is the IUPAC name of henicosa-1,6,9,12,15,18-hexaene?
The IUPAC name of henicosa-1,6,9,12,15,18-hexaene (CID 72970257) is henicosa-1,6,9,12,15,18-hexaene.
What is the SMILES notation for henicosa-1,6,9,12,15,18-hexaene?
The canonical SMILES for henicosa-1,6,9,12,15,18-hexaene is C=CCCCC=CCC=CCC=CCC=CCC=CCC.
What is the InChIKey of henicosa-1,6,9,12,15,18-hexaene?
The InChIKey is FDYJPTFUAQLZOU-UHFFFAOYSA-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.
What are the key properties of henicosa-1,6,9,12,15,18-hexaene?
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 henicosa-1,6,9,12,15,18-hexaene is sourced from PubChem (CID 72970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).