docosa-1,2-diene

C22H42 — CID 90871698

IUPACdocosa-1,2-diene
SMILESC=C=CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h5H,1,4,6-22H2,2H3
InChIKeyVMIITVVWHYDYGO-UHFFFAOYSA-N
MW306.58 g/mol
LogP8.37
Rot. Bonds18

About docosa-1,2-diene

docosa-1,2-diene (PubChem CID 90871698) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is docosa-1,2-diene.

Molecular Properties

Compound Namedocosa-1,2-diene
PubChem CID90871698
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Namedocosa-1,2-diene
SMILESC=C=CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h5H,1,4,6-22H2,2H3
InChIKeyVMIITVVWHYDYGO-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentacosa-1,2-diene
CID 91256364
13-ethylhexacosa-1,2-diene
CID 91273898
19-methyltricosa-1,2-diene
CID 91801678
(11Z,14Z)-octadeca-1,2,11,14-tetraene
CID 157049170
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
undeca-1,2,9-triene
CID 140993740
undeca-1,2,7-triene
CID 174048699
dodec-1-ene-1-thione
CID 88799346
nonadec-1-ene-1-thione
CID 90728501
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
dodeca-3,4-diene
CID 91492112

Frequently Asked Questions

What is the IUPAC name of docosa-1,2-diene?
The IUPAC name of docosa-1,2-diene (CID 90871698) is docosa-1,2-diene.
What is the SMILES notation for docosa-1,2-diene?
The canonical SMILES for docosa-1,2-diene is C=C=CCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of docosa-1,2-diene?
The InChIKey is VMIITVVWHYDYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h5H,1,4,6-22H2,2H3.
What are the key properties of docosa-1,2-diene?
docosa-1,2-diene has a molecular weight of 306.58 g/mol, XLogP of 8.37, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-1,2-diene is sourced from PubChem (CID 90871698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).