(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione

C20H24O4 — CID 53364007

IUPAC(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione
SMILESCC(C)C1=CC2=CC=C3C(C)(C)CC(=O)O[C@]3(C)CC2=C(O)C1=O
InChIInChI=1S/C20H24O4/c1-11(2)13-8-12-6-7-15-19(3,4)10-16(21)24-20(15,5)9-14(12)18(23)17(13)22/h6-8,11,23H,9-10H2,1-5H3/t20-/m1/s1
InChIKeyHMJSIJZITOCLAD-HXUWFJFHSA-N
MW328.41 g/mol
LogP3.95
Rot. Bonds1

About (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione

(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione (PubChem CID 53364007) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione.

Molecular Properties

Compound Name(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione
PubChem CID53364007
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione
SMILESCC(C)C1=CC2=CC=C3C(C)(C)CC(=O)O[C@]3(C)CC2=C(O)C1=O
InChIInChI=1S/C20H24O4/c1-11(2)13-8-12-6-7-15-19(3,4)10-16(21)24-20(15,5)9-14(12)18(23)17(13)22/h6-8,11,23H,9-10H2,1-5H3/t20-/m1/s1
InChIKeyHMJSIJZITOCLAD-HXUWFJFHSA-N
XLogP3.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-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 (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione?
The IUPAC name of (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione (CID 53364007) is (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione.
What is the SMILES notation for (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione?
The canonical SMILES for (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione is CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)O[C@]3(C)CC2=C(O)C1=O.
What is the InChIKey of (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione?
The InChIKey is HMJSIJZITOCLAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24O4/c1-11(2)13-8-12-6-7-15-19(3,4)10-16(21)24-20(15,5)9-14(12)18(23)17(13)22/h6-8,11,23H,9-10H2,1-5H3/t20-/m1/s1.
What are the key properties of (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione?
(3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione has a molecular weight of 328.41 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione is sourced from PubChem (CID 53364007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).