(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one

C24H36O — CID 90126203

IUPAC(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
SMILESCC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)CC
InChIInChI=1S/C24H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8+,12-11+,15-14+,18-17+,21-20+
InChIKeyJTDBOWPQNNWRMZ-ANYSCSBISA-N
MW340.55 g/mol
LogP7.44
Rot. Bonds15

About (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one

(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one (PubChem CID 90126203) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one.

Molecular Properties

Compound Name(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
PubChem CID90126203
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
SMILESCC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)CC
InChIInChI=1S/C24H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8+,12-11+,15-14+,18-17+,21-20+
InChIKeyJTDBOWPQNNWRMZ-ANYSCSBISA-N
XLogP7.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one with MolForge

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Related Compounds

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(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
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(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
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Frequently Asked Questions

What is the IUPAC name of (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one?
The IUPAC name of (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one (CID 90126203) is (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one.
What is the SMILES notation for (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one?
The canonical SMILES for (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one is CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)CC.
What is the InChIKey of (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one?
The InChIKey is JTDBOWPQNNWRMZ-ANYSCSBISA-N. The full InChI is InChI=1S/C24H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8+,12-11+,15-14+,18-17+,21-20+.
What are the key properties of (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one?
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one has a molecular weight of 340.55 g/mol, XLogP of 7.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one is sourced from PubChem (CID 90126203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).