(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione

C18H24O4 — CID 5275914

IUPAC(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
SMILESC[C@@H]1CCCC(=O)CCCCCc2cccc(O)c2C(=O)O1
InChIInChI=1S/C18H24O4/c1-13-7-5-11-15(19)10-4-2-3-8-14-9-6-12-16(20)17(14)18(21)22-13/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeyHOVUGONJLIRBNO-CYBMUJFWSA-N
MW304.39 g/mol
LogP3.79
Rot. Bonds

About (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione

(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione (PubChem CID 5275914) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione.

Molecular Properties

Compound Name(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
PubChem CID5275914
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
SMILESC[C@@H]1CCCC(=O)CCCCCc2cccc(O)c2C(=O)O1
InChIInChI=1S/C18H24O4/c1-13-7-5-11-15(19)10-4-2-3-8-14-9-6-12-16(20)17(14)18(21)22-13/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3/t13-/m1/s1
InChIKeyHOVUGONJLIRBNO-CYBMUJFWSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-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 (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione?
The IUPAC name of (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione (CID 5275914) is (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione.
What is the SMILES notation for (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione?
The canonical SMILES for (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione is C[C@@H]1CCCC(=O)CCCCCc2cccc(O)c2C(=O)O1.
What is the InChIKey of (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione?
The InChIKey is HOVUGONJLIRBNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24O4/c1-13-7-5-11-15(19)10-4-2-3-8-14-9-6-12-16(20)17(14)18(21)22-13/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione?
(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione has a molecular weight of 304.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione is sourced from PubChem (CID 5275914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).