(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one

C24H34O5 — CID 11741844

IUPAC(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one
SMILESCC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C(O)/C=C/C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-8-4-2-6-10-15-22(26)19-23(27)17-12-16-21(25)14-9-5-3-7-11-18-24(28)29-20/h2-3,6-7,9-12,14-16,18,20-23,25-27H,4-5,8,13,17,19H2,1H3/b6-2+,7-3+,14-9+,15-10+,16-12-,18-11-
InChIKeyJIYRVNYCTITQSJ-LDAMAOJISA-N
MW402.53 g/mol
LogP3.69
Rot. Bonds

About (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one

(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one (PubChem CID 11741844) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one.

Molecular Properties

Compound Name(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one
PubChem CID11741844
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one
SMILESCC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C(O)/C=C/C/C=C/C=C\C(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-8-4-2-6-10-15-22(26)19-23(27)17-12-16-21(25)14-9-5-3-7-11-18-24(28)29-20/h2-3,6-7,9-12,14-16,18,20-23,25-27H,4-5,8,13,17,19H2,1H3/b6-2+,7-3+,14-9+,15-10+,16-12-,18-11-
InChIKeyJIYRVNYCTITQSJ-LDAMAOJISA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one?
The IUPAC name of (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one (CID 11741844) is (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one.
What is the SMILES notation for (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one?
The canonical SMILES for (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one is CC1CCC/C=C/C=C/C(O)CC(O)C/C=C\C(O)/C=C/C/C=C/C=C\C(=O)O1.
What is the InChIKey of (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one?
The InChIKey is JIYRVNYCTITQSJ-LDAMAOJISA-N. The full InChI is InChI=1S/C24H34O5/c1-20-13-8-4-2-6-10-15-22(26)19-23(27)17-12-16-21(25)14-9-5-3-7-11-18-24(28)29-20/h2-3,6-7,9-12,14-16,18,20-23,25-27H,4-5,8,13,17,19H2,1H3/b6-2+,7-3+,14-9+,15-10+,16-12-,18-11-.
What are the key properties of (3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one?
(3Z,5E,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-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,8E,11Z,17E,19E)-10,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,8,11,17,19-hexaen-2-one is sourced from PubChem (CID 11741844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).