henicosa-1,6,9,12,15-pentaene

C21H34 — CID 54438601

IUPAChenicosa-1,6,9,12,15-pentaene
SMILESC=CCCCC=CCC=CCC=CCC=CCCCCC
InChIInChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,11-14,17-20H,1,4-10,15-16,21H2,2H3
InChIKeyWMMKRRHSYGLRHN-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.32
Rot. Bonds14

About henicosa-1,6,9,12,15-pentaene

henicosa-1,6,9,12,15-pentaene (PubChem CID 54438601) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is henicosa-1,6,9,12,15-pentaene.

Molecular Properties

Compound Namehenicosa-1,6,9,12,15-pentaene
PubChem CID54438601
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Namehenicosa-1,6,9,12,15-pentaene
SMILESC=CCCCC=CCC=CCC=CCC=CCCCCC
InChIInChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,11-14,17-20H,1,4-10,15-16,21H2,2H3
InChIKeyWMMKRRHSYGLRHN-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.32
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 henicosa-1,6,9,12,15-pentaene?
The IUPAC name of henicosa-1,6,9,12,15-pentaene (CID 54438601) is henicosa-1,6,9,12,15-pentaene.
What is the SMILES notation for henicosa-1,6,9,12,15-pentaene?
The canonical SMILES for henicosa-1,6,9,12,15-pentaene is C=CCCCC=CCC=CCC=CCC=CCCCCC.
What is the InChIKey of henicosa-1,6,9,12,15-pentaene?
The InChIKey is WMMKRRHSYGLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,11-14,17-20H,1,4-10,15-16,21H2,2H3.
What are the key properties of henicosa-1,6,9,12,15-pentaene?
henicosa-1,6,9,12,15-pentaene has a molecular weight of 286.50 g/mol, XLogP of 7.32, 14 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-pentaene is sourced from PubChem (CID 54438601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).