docosa-4,7,11-triene

C22H40 — CID 141035180

IUPACdocosa-4,7,11-triene
SMILESCCCC=CCC=CCCC=CCCCCCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,21-22H,3-6,8,10-12,14,16-20H2,1-2H3
InChIKeyZWHSLDPKBRWSTP-UHFFFAOYSA-N
MW304.56 g/mol
LogP8.16
Rot. Bonds16

About docosa-4,7,11-triene

docosa-4,7,11-triene (PubChem CID 141035180) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is docosa-4,7,11-triene.

Molecular Properties

Compound Namedocosa-4,7,11-triene
PubChem CID141035180
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Namedocosa-4,7,11-triene
SMILESCCCC=CCC=CCCC=CCCCCCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,21-22H,3-6,8,10-12,14,16-20H2,1-2H3
InChIKeyZWHSLDPKBRWSTP-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 58.16
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

(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
pentadeca-4,8-diene
CID 90864504
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
heptadeca-5,8,11-triene
CID 54101473
dodec-4-ene;hydrochloride
CID 175415968
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859

Frequently Asked Questions

What is the IUPAC name of docosa-4,7,11-triene?
The IUPAC name of docosa-4,7,11-triene (CID 141035180) is docosa-4,7,11-triene.
What is the SMILES notation for docosa-4,7,11-triene?
The canonical SMILES for docosa-4,7,11-triene is CCCC=CCC=CCCC=CCCCCCCCCCC.
What is the InChIKey of docosa-4,7,11-triene?
The InChIKey is ZWHSLDPKBRWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,21-22H,3-6,8,10-12,14,16-20H2,1-2H3.
What are the key properties of docosa-4,7,11-triene?
docosa-4,7,11-triene has a molecular weight of 304.56 g/mol, XLogP of 8.16, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-4,7,11-triene is sourced from PubChem (CID 141035180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).