(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione

C24H34O5 — CID 23247215

IUPAC(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
SMILESC[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,9-12,14,18,20-21,23,25,27H,3,7-8,13,15-17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,18-12-/t20-,21-,23+/m1/s1
InChIKeyKMKZBIGDFUKDCN-QLVJNLMHSA-N
MW402.53 g/mol
LogP4.12
Rot. Bonds

About (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione

(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione (PubChem CID 23247215) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione.

Molecular Properties

Compound Name(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
PubChem CID23247215
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
SMILESC[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,9-12,14,18,20-21,23,25,27H,3,7-8,13,15-17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,18-12-/t20-,21-,23+/m1/s1
InChIKeyKMKZBIGDFUKDCN-QLVJNLMHSA-N
XLogP4.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-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,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The IUPAC name of (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione (CID 23247215) is (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione.
What is the SMILES notation for (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The canonical SMILES for (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione is C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/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,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
The InChIKey is KMKZBIGDFUKDCN-QLVJNLMHSA-N. The full InChI is InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,9-12,14,18,20-21,23,25,27H,3,7-8,13,15-17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,18-12-/t20-,21-,23+/m1/s1.
What are the key properties of (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione?
(3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione has a molecular weight of 402.53 g/mol, XLogP of 4.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8S,9E,11Z,14S,19E,24R)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione is sourced from PubChem (CID 23247215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).