tricosa-3,5,7,9,11,13-hexaen-2-one

C23H34O — CID 123320913

IUPACtricosa-3,5,7,9,11,13-hexaen-2-one
SMILESCCCCCCCCCC=CC=CC=CC=CC=CC=CC(C)=O
InChIInChI=1S/C23H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h11-22H,3-10H2,1-2H3
InChIKeyJKAQINJKLDHKTL-UHFFFAOYSA-N
MW326.52 g/mol
LogP7.05
Rot. Bonds14

About tricosa-3,5,7,9,11,13-hexaen-2-one

tricosa-3,5,7,9,11,13-hexaen-2-one (PubChem CID 123320913) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is tricosa-3,5,7,9,11,13-hexaen-2-one.

Molecular Properties

Compound Nametricosa-3,5,7,9,11,13-hexaen-2-one
PubChem CID123320913
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Nametricosa-3,5,7,9,11,13-hexaen-2-one
SMILESCCCCCCCCCC=CC=CC=CC=CC=CC=CC(C)=O
InChIInChI=1S/C23H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h11-22H,3-10H2,1-2H3
InChIKeyJKAQINJKLDHKTL-UHFFFAOYSA-N
XLogP7.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366

Frequently Asked Questions

What is the IUPAC name of tricosa-3,5,7,9,11,13-hexaen-2-one?
The IUPAC name of tricosa-3,5,7,9,11,13-hexaen-2-one (CID 123320913) is tricosa-3,5,7,9,11,13-hexaen-2-one.
What is the SMILES notation for tricosa-3,5,7,9,11,13-hexaen-2-one?
The canonical SMILES for tricosa-3,5,7,9,11,13-hexaen-2-one is CCCCCCCCCC=CC=CC=CC=CC=CC=CC(C)=O.
What is the InChIKey of tricosa-3,5,7,9,11,13-hexaen-2-one?
The InChIKey is JKAQINJKLDHKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h11-22H,3-10H2,1-2H3.
What are the key properties of tricosa-3,5,7,9,11,13-hexaen-2-one?
tricosa-3,5,7,9,11,13-hexaen-2-one has a molecular weight of 326.52 g/mol, XLogP of 7.05, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-3,5,7,9,11,13-hexaen-2-one is sourced from PubChem (CID 123320913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).