(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione

C16H22O6 — CID 139586869

IUPAC(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione
SMILESC[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1
InChIInChI=1S/C16H22O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-13,17H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-,13+/m1/s1
InChIKeyBKJDRLKIIICLOD-DLGFTTGQSA-N
MW310.35 g/mol
LogP1.47
Rot. Bonds

About (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione

(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione (PubChem CID 139586869) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione.

Molecular Properties

Compound Name(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione
PubChem CID139586869
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione
SMILESC[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1
InChIInChI=1S/C16H22O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-13,17H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-,13+/m1/s1
InChIKeyBKJDRLKIIICLOD-DLGFTTGQSA-N
XLogP1.47
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione?
The IUPAC name of (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione (CID 139586869) is (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione.
What is the SMILES notation for (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione?
The canonical SMILES for (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione is C[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1.
What is the InChIKey of (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione?
The InChIKey is BKJDRLKIIICLOD-DLGFTTGQSA-N. The full InChI is InChI=1S/C16H22O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-13,17H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-,13+/m1/s1.
What are the key properties of (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione?
(3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione has a molecular weight of 310.35 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8R,11Z,13S,16R)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione is sourced from PubChem (CID 139586869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).