(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione

C16H20O4 — CID 162891457

IUPAC(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione
SMILESC[C@H]1C[C@H]2OC(=O)C3=CCC[C@]4(OC(=O)C[C@]14C)[C@]32C
InChIInChI=1S/C16H20O4/c1-9-7-11-15(3)10(13(18)19-11)5-4-6-16(15)14(9,2)8-12(17)20-16/h5,9,11H,4,6-8H2,1-3H3/t9-,11+,14+,15+,16+/m0/s1
InChIKeyAQZDDSPBDJXPNE-PEIKOTFYSA-N
MW276.33 g/mol
LogP2.37
Rot. Bonds

About (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione

(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione (PubChem CID 162891457) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione.

Molecular Properties

Compound Name(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione
PubChem CID162891457
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione
SMILESC[C@H]1C[C@H]2OC(=O)C3=CCC[C@]4(OC(=O)C[C@]14C)[C@]32C
InChIInChI=1S/C16H20O4/c1-9-7-11-15(3)10(13(18)19-11)5-4-6-16(15)14(9,2)8-12(17)20-16/h5,9,11H,4,6-8H2,1-3H3/t9-,11+,14+,15+,16+/m0/s1
InChIKeyAQZDDSPBDJXPNE-PEIKOTFYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-hydroxy-5-oxo-2H-furan-3-yl)-3-methoxy-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-en-10-one
CID 162913094
(1R,3S,5R,6S,8R,15R)-3-ethoxy-3-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-en-10-one
CID 162996910
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(1S,8R,9R,10S,12S)-9-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-4-en-3-one
CID 162912659
(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
CID 166448826
2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
CID 70018181
4,4,5,5-tetramethyloxolan-2-one
CID 547832
(4S,11S)-4,11-dimethyl-11-(methylamino)-3-oxabicyclo[5.3.1]undec-1(10)-en-2-one
CID 145196519
(1R,2R,5S,7S,12S,13R,14R)-12-hydroxy-5-methoxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
CID 162951159
(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
CID 11789099
7-methyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 535523
(4S,9R,11R)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 10130335

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione?
The IUPAC name of (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione (CID 162891457) is (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione.
What is the SMILES notation for (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione?
The canonical SMILES for (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione is C[C@H]1C[C@H]2OC(=O)C3=CCC[C@]4(OC(=O)C[C@]14C)[C@]32C.
What is the InChIKey of (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione?
The InChIKey is AQZDDSPBDJXPNE-PEIKOTFYSA-N. The full InChI is InChI=1S/C16H20O4/c1-9-7-11-15(3)10(13(18)19-11)5-4-6-16(15)14(9,2)8-12(17)20-16/h5,9,11H,4,6-8H2,1-3H3/t9-,11+,14+,15+,16+/m0/s1.
What are the key properties of (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione?
(1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione has a molecular weight of 276.33 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,8R,15R)-5,6,15-trimethyl-2,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadec-11-ene-3,10-dione is sourced from PubChem (CID 162891457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).