octadeca-1,3,5,7,9,11-hexaene

C18H26 — CID 90906281

IUPACoctadeca-1,3,5,7,9,11-hexaene
SMILESC=CC=CC=CC=CC=CC=CCCCCCC
InChIInChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13-18H,1,4,6,8,10,12H2,2H3
InChIKeyDHHDCQAKZSFSBC-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.92
Rot. Bonds10

About octadeca-1,3,5,7,9,11-hexaene

octadeca-1,3,5,7,9,11-hexaene (PubChem CID 90906281) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is octadeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Nameoctadeca-1,3,5,7,9,11-hexaene
PubChem CID90906281
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameoctadeca-1,3,5,7,9,11-hexaene
SMILESC=CC=CC=CC=CC=CC=CCCCCCC
InChIInChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13-18H,1,4,6,8,10,12H2,2H3
InChIKeyDHHDCQAKZSFSBC-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.92
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

(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(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 octadeca-1,3,5,7,9,11-hexaene?
The IUPAC name of octadeca-1,3,5,7,9,11-hexaene (CID 90906281) is octadeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for octadeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for octadeca-1,3,5,7,9,11-hexaene is C=CC=CC=CC=CC=CC=CCCCCCC.
What is the InChIKey of octadeca-1,3,5,7,9,11-hexaene?
The InChIKey is DHHDCQAKZSFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13-18H,1,4,6,8,10,12H2,2H3.
What are the key properties of octadeca-1,3,5,7,9,11-hexaene?
octadeca-1,3,5,7,9,11-hexaene has a molecular weight of 242.41 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 90906281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).