(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

C24H34O5 — CID 5387122

IUPAC(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
SMILESCC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C=C\C(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/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-
InChIKeyXXDIJWSZFWZBRM-WSKGJZFTSA-N
MW402.53 g/mol
LogP3.69
Rot. Bonds

About (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one (PubChem CID 5387122) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one.

Molecular Properties

Compound Name(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
PubChem CID5387122
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
SMILESCC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C=C\C(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/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-
InChIKeyXXDIJWSZFWZBRM-WSKGJZFTSA-N
XLogP3.69
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The IUPAC name of (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one (CID 5387122) is (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one.
What is the SMILES notation for (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The canonical SMILES for (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one is CC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C=C\C(O)C/C=C/C=C\C(=O)O1.
What is the InChIKey of (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The InChIKey is XXDIJWSZFWZBRM-WSKGJZFTSA-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/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-.
What are the key properties of (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
(3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one has a molecular weight of 402.53 g/mol, XLogP of 3.69, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one is sourced from PubChem (CID 5387122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).