(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione

C20H22O3 — CID 11162686

IUPAC(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione
SMILESCC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1
InChIInChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1
InChIKeyUKOKENMLXFNPEJ-WOJBJXKFSA-N
MW310.39 g/mol
LogP4.27
Rot. Bonds1

About (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione

(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione (PubChem CID 11162686) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione.

Molecular Properties

Compound Name(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione
PubChem CID11162686
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione
SMILESCC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1
InChIInChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1
InChIKeyUKOKENMLXFNPEJ-WOJBJXKFSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-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,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione?
The IUPAC name of (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione (CID 11162686) is (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione.
What is the SMILES notation for (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione?
The canonical SMILES for (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione is CC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1.
What is the InChIKey of (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione?
The InChIKey is UKOKENMLXFNPEJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione?
(1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione has a molecular weight of 310.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-8,11-dione is sourced from PubChem (CID 11162686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).