tricosa-4,19-diene

C23H44 — CID 142680711

IUPACtricosa-4,19-diene
SMILESCCCC=CCCCCCCCCCCCCCC=CCCC
InChIInChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-23H2,1-2H3
InChIKeyXPQVRQVGVMWXJY-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.77
Rot. Bonds18

About tricosa-4,19-diene

tricosa-4,19-diene (PubChem CID 142680711) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is tricosa-4,19-diene.

Molecular Properties

Compound Nametricosa-4,19-diene
PubChem CID142680711
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Nametricosa-4,19-diene
SMILESCCCC=CCCCCCCCCCCCCCC=CCCC
InChIInChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-23H2,1-2H3
InChIKeyXPQVRQVGVMWXJY-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.77
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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Related Compounds

hexadeca-4,12-diene
CID 71384995
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
pentadeca-4,10-diene
CID 54306056
dodec-4-ene;ethene
CID 175558519
ethane;henicos-4-ene;propane
CID 144512101
(11E)-pentadeca-1,11-diene
CID 15206768
(Z)-undec-7-en-1-ol
CID 93484782
tetradeca-1,10-diene
CID 141056381

Frequently Asked Questions

What is the IUPAC name of tricosa-4,19-diene?
The IUPAC name of tricosa-4,19-diene (CID 142680711) is tricosa-4,19-diene.
What is the SMILES notation for tricosa-4,19-diene?
The canonical SMILES for tricosa-4,19-diene is CCCC=CCCCCCCCCCCCCCC=CCCC.
What is the InChIKey of tricosa-4,19-diene?
The InChIKey is XPQVRQVGVMWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-23H2,1-2H3.
What are the key properties of tricosa-4,19-diene?
tricosa-4,19-diene has a molecular weight of 320.61 g/mol, XLogP of 8.77, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-4,19-diene is sourced from PubChem (CID 142680711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).