(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione

C20H26O4 — CID 166635341

IUPAC(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione
SMILESCC1=C2C(=O)C[C@@]3(C)CC/C(C)=C\C(=O)C[C@@H](C)C[C@@H](OC1=O)[C@H]23
InChIInChI=1S/C20H26O4/c1-11-5-6-20(4)10-15(22)17-13(3)19(23)24-16(18(17)20)9-12(2)8-14(21)7-11/h7,12,16,18H,5-6,8-10H2,1-4H3/b11-7-/t12-,16-,18-,20-/m1/s1
InChIKeyQDORGHXMFXSFPP-TUAJMCEFSA-N
MW330.42 g/mol
LogP3.55
Rot. Bonds

About (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione

(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione (PubChem CID 166635341) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione.

Molecular Properties

Compound Name(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione
PubChem CID166635341
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione
SMILESCC1=C2C(=O)C[C@@]3(C)CC/C(C)=C\C(=O)C[C@@H](C)C[C@@H](OC1=O)[C@H]23
InChIInChI=1S/C20H26O4/c1-11-5-6-20(4)10-15(22)17-13(3)19(23)24-16(18(17)20)9-12(2)8-14(21)7-11/h7,12,16,18H,5-6,8-10H2,1-4H3/b11-7-/t12-,16-,18-,20-/m1/s1
InChIKeyQDORGHXMFXSFPP-TUAJMCEFSA-N
XLogP3.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione 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,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione?
The IUPAC name of (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione (CID 166635341) is (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione.
What is the SMILES notation for (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione?
The canonical SMILES for (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione is CC1=C2C(=O)C[C@@]3(C)CC/C(C)=C\C(=O)C[C@@H](C)C[C@@H](OC1=O)[C@H]23.
What is the InChIKey of (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione?
The InChIKey is QDORGHXMFXSFPP-TUAJMCEFSA-N. The full InChI is InChI=1S/C20H26O4/c1-11-5-6-20(4)10-15(22)17-13(3)19(23)24-16(18(17)20)9-12(2)8-14(21)7-11/h7,12,16,18H,5-6,8-10H2,1-4H3/b11-7-/t12-,16-,18-,20-/m1/s1.
What are the key properties of (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione?
(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione has a molecular weight of 330.42 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,12,15-trione is sourced from PubChem (CID 166635341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).