(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione

C17H24O5 — CID 118709295

IUPAC(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione
SMILESCOC1=CC(=O)C=C2CCCCCCC[C@@H](C)OC(=O)[C@@]21O
InChIInChI=1S/C17H24O5/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(21-2)17(13,20)16(19)22-12/h10-12,20H,3-9H2,1-2H3/t12-,17-/m1/s1
InChIKeyZRILRSOPEHSHBG-SJKOYZFVSA-N
MW308.37 g/mol
LogP2.43
Rot. Bonds1

About (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione

(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione (PubChem CID 118709295) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione.

Molecular Properties

Compound Name(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione
PubChem CID118709295
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione
SMILESCOC1=CC(=O)C=C2CCCCCCC[C@@H](C)OC(=O)[C@@]21O
InChIInChI=1S/C17H24O5/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(21-2)17(13,20)16(19)22-12/h10-12,20H,3-9H2,1-2H3/t12-,17-/m1/s1
InChIKeyZRILRSOPEHSHBG-SJKOYZFVSA-N
XLogP2.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-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 (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione?
The IUPAC name of (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione (CID 118709295) is (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione.
What is the SMILES notation for (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione?
The canonical SMILES for (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione is COC1=CC(=O)C=C2CCCCCCC[C@@H](C)OC(=O)[C@@]21O.
What is the InChIKey of (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione?
The InChIKey is ZRILRSOPEHSHBG-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H24O5/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(21-2)17(13,20)16(19)22-12/h10-12,20H,3-9H2,1-2H3/t12-,17-/m1/s1.
What are the key properties of (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione?
(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione has a molecular weight of 308.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione is sourced from PubChem (CID 118709295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).