(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione

C24H34O4 — CID 162985008

IUPAC(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
SMILESC[C@@H]1CCC/C=C/CCC(=O)CCC/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O4/c1-21-15-9-4-2-5-10-16-22(25)17-11-6-3-7-12-18-23(26)19-13-8-14-20-24(27)28-21/h2-3,5,7-8,12-14,18,20-21,23,26H,4,6,9-11,15-17,19H2,1H3/b5-2+,7-3-,13-8+,18-12+,20-14-/t21-,23-/m1/s1
InChIKeyRSTZNFQDRKJJEI-ZOSCFRLCSA-N
MW386.53 g/mol
LogP5.15
Rot. Bonds

About (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione

(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione (PubChem CID 162985008) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione.

Molecular Properties

Compound Name(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
PubChem CID162985008
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
SMILESC[C@@H]1CCC/C=C/CCC(=O)CCC/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O4/c1-21-15-9-4-2-5-10-16-22(25)17-11-6-3-7-12-18-23(26)19-13-8-14-20-24(27)28-21/h2-3,5,7-8,12-14,18,20-21,23,26H,4,6,9-11,15-17,19H2,1H3/b5-2+,7-3-,13-8+,18-12+,20-14-/t21-,23-/m1/s1
InChIKeyRSTZNFQDRKJJEI-ZOSCFRLCSA-N
XLogP5.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The IUPAC name of (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione (CID 162985008) is (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione.
What is the SMILES notation for (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The canonical SMILES for (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione is C[C@@H]1CCC/C=C/CCC(=O)CCC/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1.
What is the InChIKey of (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The InChIKey is RSTZNFQDRKJJEI-ZOSCFRLCSA-N. The full InChI is InChI=1S/C24H34O4/c1-21-15-9-4-2-5-10-16-22(25)17-11-6-3-7-12-18-23(26)19-13-8-14-20-24(27)28-21/h2-3,5,7-8,12-14,18,20-21,23,26H,4,6,9-11,15-17,19H2,1H3/b5-2+,7-3-,13-8+,18-12+,20-14-/t21-,23-/m1/s1.
What are the key properties of (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
(3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione has a molecular weight of 386.53 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8S,9E,11Z,19E,24R)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione is sourced from PubChem (CID 162985008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).