(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene

C23H34 — CID 173020960

IUPAC(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC
InChIInChI=1S/C23H34/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17,19-23H,1,4,6,8,10,12,14,16,18H2,2H3/b7-5+,11-9+,15-13+,19-17+,22-20+,23-21+
InChIKeyFNRWKMMINWLVAO-OCNLAKEESA-N
MW310.53 g/mol
LogP7.65
Rot. Bonds14

About (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene

(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene (PubChem CID 173020960) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
PubChem CID173020960
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC
InChIInChI=1S/C23H34/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17,19-23H,1,4,6,8,10,12,14,16,18H2,2H3/b7-5+,11-9+,15-13+,19-17+,22-20+,23-21+
InChIKeyFNRWKMMINWLVAO-OCNLAKEESA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.65
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'}

Analyze (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene with MolForge

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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
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
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 (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene?
The IUPAC name of (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene (CID 173020960) is (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene is C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC.
What is the InChIKey of (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene?
The InChIKey is FNRWKMMINWLVAO-OCNLAKEESA-N. The full InChI is InChI=1S/C23H34/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17,19-23H,1,4,6,8,10,12,14,16,18H2,2H3/b7-5+,11-9+,15-13+,19-17+,22-20+,23-21+.
What are the key properties of (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene?
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene has a molecular weight of 310.53 g/mol, XLogP of 7.65, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 173020960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).