(E)-docos-6-ene

C22H44 — CID 22172020

IUPAC(E)-docos-6-ene
SMILESCCCCC/C=C/CCCCCCCCCCCCCCC
InChIInChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-22H2,1-2H3/b13-11+
InChIKeyJUOQZBLGEXERMH-ACCUITESSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds18

About (E)-docos-6-ene

(E)-docos-6-ene (PubChem CID 22172020) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is (E)-docos-6-ene.

Molecular Properties

Compound Name(E)-docos-6-ene
PubChem CID22172020
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name(E)-docos-6-ene
SMILESCCCCC/C=C/CCCCCCCCCCCCCCC
InChIInChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-22H2,1-2H3/b13-11+
InChIKeyJUOQZBLGEXERMH-ACCUITESSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of (E)-docos-6-ene?
The IUPAC name of (E)-docos-6-ene (CID 22172020) is (E)-docos-6-ene.
What is the SMILES notation for (E)-docos-6-ene?
The canonical SMILES for (E)-docos-6-ene is CCCCC/C=C/CCCCCCCCCCCCCCC.
What is the InChIKey of (E)-docos-6-ene?
The InChIKey is JUOQZBLGEXERMH-ACCUITESSA-N. The full InChI is InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-22H2,1-2H3/b13-11+.
What are the key properties of (E)-docos-6-ene?
(E)-docos-6-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-docos-6-ene is sourced from PubChem (CID 22172020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).