tetracosa-20,23-dien-10-one

C24H44O — CID 123873281

IUPACtetracosa-20,23-dien-10-one
SMILESC=CCC=CCCCCCCCCCC(=O)CCCCCCCCC
InChIInChI=1S/C24H44O/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-24(25)22-20-18-16-10-8-6-4-2/h3,7,9H,1,4-6,8,10-23H2,2H3
InChIKeyPTLHGLSZOMWPPH-UHFFFAOYSA-N
MW348.62 g/mol
LogP8.34
Rot. Bonds20

About tetracosa-20,23-dien-10-one

tetracosa-20,23-dien-10-one (PubChem CID 123873281) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is tetracosa-20,23-dien-10-one.

Molecular Properties

Compound Nametetracosa-20,23-dien-10-one
PubChem CID123873281
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Nametetracosa-20,23-dien-10-one
SMILESC=CCC=CCCCCCCCCCC(=O)CCCCCCCCC
InChIInChI=1S/C24H44O/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-24(25)22-20-18-16-10-8-6-4-2/h3,7,9H,1,4-6,8,10-23H2,2H3
InChIKeyPTLHGLSZOMWPPH-UHFFFAOYSA-N
XLogP8.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(E)-triacont-15-ene-8,23-dione
CID 11849500
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
(4Z)-dodeca-1,4-diene
CID 12525542
tricos-1-en-11-one
CID 146680996
(E)-nonadec-12-en-9-one
CID 15584258
pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
hexadeca-1,4,8-triene
CID 174048525
pentadeca-1,4,9-triene
CID 174048539

Frequently Asked Questions

What is the IUPAC name of tetracosa-20,23-dien-10-one?
The IUPAC name of tetracosa-20,23-dien-10-one (CID 123873281) is tetracosa-20,23-dien-10-one.
What is the SMILES notation for tetracosa-20,23-dien-10-one?
The canonical SMILES for tetracosa-20,23-dien-10-one is C=CCC=CCCCCCCCCCC(=O)CCCCCCCCC.
What is the InChIKey of tetracosa-20,23-dien-10-one?
The InChIKey is PTLHGLSZOMWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-24(25)22-20-18-16-10-8-6-4-2/h3,7,9H,1,4-6,8,10-23H2,2H3.
What are the key properties of tetracosa-20,23-dien-10-one?
tetracosa-20,23-dien-10-one has a molecular weight of 348.62 g/mol, XLogP of 8.34, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosa-20,23-dien-10-one is sourced from PubChem (CID 123873281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).