(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

C21H32O5 — CID 6444052

IUPAC(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1CO
InChIInChI=1S/C21H32O5/c1-5-19-17(13-22)8-6-7-9-18(23)15(3)12-16(4)21(25)14(2)10-11-20(24)26-19/h6-11,14-17,19,21-22,25H,5,12-13H2,1-4H3/b8-6-,9-7-,11-10-/t14-,15+,16-,17+,19+,21+/m0/s1
InChIKeyHUAKBQRUWMYNSD-NMQQROTKSA-N
MW364.48 g/mol
LogP2.83
Rot. Bonds2

About (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (PubChem CID 6444052) has the molecular formula C21H32O5 and a molecular weight of 364.48 g/mol. Its IUPAC name is (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.

Molecular Properties

Compound Name(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
PubChem CID6444052
Molecular FormulaC21H32O5
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1CO
InChIInChI=1S/C21H32O5/c1-5-19-17(13-22)8-6-7-9-18(23)15(3)12-16(4)21(25)14(2)10-11-20(24)26-19/h6-11,14-17,19,21-22,25H,5,12-13H2,1-4H3/b8-6-,9-7-,11-10-/t14-,15+,16-,17+,19+,21+/m0/s1
InChIKeyHUAKBQRUWMYNSD-NMQQROTKSA-N
XLogP2.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The IUPAC name of (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (CID 6444052) is (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.
What is the SMILES notation for (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The canonical SMILES for (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1CO.
What is the InChIKey of (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The InChIKey is HUAKBQRUWMYNSD-NMQQROTKSA-N. The full InChI is InChI=1S/C21H32O5/c1-5-19-17(13-22)8-6-7-9-18(23)15(3)12-16(4)21(25)14(2)10-11-20(24)26-19/h6-11,14-17,19,21-22,25H,5,12-13H2,1-4H3/b8-6-,9-7-,11-10-/t14-,15+,16-,17+,19+,21+/m0/s1.
What are the key properties of (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
(3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione has a molecular weight of 364.48 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is sourced from PubChem (CID 6444052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).