tricosa-1,3,5,7-tetraene

C23H40 — CID 90704431

IUPACtricosa-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H40/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15H,1,4,6,8,10,12,14,16-23H2,2H3
InChIKeyGAIIMJYIMQBRRW-UHFFFAOYSA-N
MW316.57 g/mol
LogP8.32
Rot. Bonds17

About tricosa-1,3,5,7-tetraene

tricosa-1,3,5,7-tetraene (PubChem CID 90704431) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is tricosa-1,3,5,7-tetraene.

Molecular Properties

Compound Nametricosa-1,3,5,7-tetraene
PubChem CID90704431
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Nametricosa-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H40/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15H,1,4,6,8,10,12,14,16-23H2,2H3
InChIKeyGAIIMJYIMQBRRW-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 58.32
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
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
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 tricosa-1,3,5,7-tetraene?
The IUPAC name of tricosa-1,3,5,7-tetraene (CID 90704431) is tricosa-1,3,5,7-tetraene.
What is the SMILES notation for tricosa-1,3,5,7-tetraene?
The canonical SMILES for tricosa-1,3,5,7-tetraene is C=CC=CC=CC=CCCCCCCCCCCCCCCC.
What is the InChIKey of tricosa-1,3,5,7-tetraene?
The InChIKey is GAIIMJYIMQBRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15H,1,4,6,8,10,12,14,16-23H2,2H3.
What are the key properties of tricosa-1,3,5,7-tetraene?
tricosa-1,3,5,7-tetraene has a molecular weight of 316.57 g/mol, XLogP of 8.32, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-1,3,5,7-tetraene is sourced from PubChem (CID 90704431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).