(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

C16H24O6 — CID 11001454

IUPAC(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@H]1CC[C@@H](O)/C=C/C(=O)O[C@@H](C)CC[C@@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H24O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-14,17-18H,3-6H2,1-2H3/b9-7+,10-8+/t11-,12-,13+,14+/m0/s1
InChIKeyRBQNDQOKFICJGL-DZYDYMCZSA-N
MW312.36 g/mol
LogP1.26
Rot. Bonds

About (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (PubChem CID 11001454) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.

Molecular Properties

Compound Name(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
PubChem CID11001454
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@H]1CC[C@@H](O)/C=C/C(=O)O[C@@H](C)CC[C@@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H24O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-14,17-18H,3-6H2,1-2H3/b9-7+,10-8+/t11-,12-,13+,14+/m0/s1
InChIKeyRBQNDQOKFICJGL-DZYDYMCZSA-N
XLogP1.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The IUPAC name of (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (CID 11001454) is (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.
What is the SMILES notation for (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The canonical SMILES for (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is C[C@H]1CC[C@@H](O)/C=C/C(=O)O[C@@H](C)CC[C@@H](O)/C=C/C(=O)O1.
What is the InChIKey of (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The InChIKey is RBQNDQOKFICJGL-DZYDYMCZSA-N. The full InChI is InChI=1S/C16H24O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7-14,17-18H,3-6H2,1-2H3/b9-7+,10-8+/t11-,12-,13+,14+/m0/s1.
What are the key properties of (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione has a molecular weight of 312.36 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is sourced from PubChem (CID 11001454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).