hexacosa-1,3,5,7,9,11,13,15,17-nonaene

C26H36 — CID 91421045

IUPAChexacosa-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CCCCCCCCC
InChIInChI=1S/C26H36/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17-26H,1,4,6,8,10,12,14,16H2,2H3
InChIKeyLYVCBDCZDUOJPK-UHFFFAOYSA-N
MW348.57 g/mol
LogP8.37
Rot. Bonds15

About hexacosa-1,3,5,7,9,11,13,15,17-nonaene

hexacosa-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 91421045) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is hexacosa-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Namehexacosa-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID91421045
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Namehexacosa-1,3,5,7,9,11,13,15,17-nonaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CCCCCCCCC
InChIInChI=1S/C26H36/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17-26H,1,4,6,8,10,12,14,16H2,2H3
InChIKeyLYVCBDCZDUOJPK-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 173021038
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(3Z)-heptadeca-1,3,9-triene
CID 175589298
alumane;octadeca-1,3,5-triene;sulfuric acid
CID 175434507
hexadeca-1,3,8-triene
CID 174048674
nonadeca-1,3,5,7,10,12-hexaen-9-one
CID 90034448
(22E)-heptatetraconta-22,24-diene
CID 56629131

Frequently Asked Questions

What is the IUPAC name of hexacosa-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of hexacosa-1,3,5,7,9,11,13,15,17-nonaene (CID 91421045) is hexacosa-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for hexacosa-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for hexacosa-1,3,5,7,9,11,13,15,17-nonaene is C=CC=CC=CC=CC=CC=CC=CC=CC=CCCCCCCCC.
What is the InChIKey of hexacosa-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is LYVCBDCZDUOJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17-26H,1,4,6,8,10,12,14,16H2,2H3.
What are the key properties of hexacosa-1,3,5,7,9,11,13,15,17-nonaene?
hexacosa-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 348.57 g/mol, XLogP of 8.37, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosa-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 91421045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).