(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione

C23H30O5 — CID 71100309

IUPAC(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione
SMILESCc1cc(C)c2c(c1)CCCC1OC(C)(C)OC1C(=O)/C=C\CC(C)OC2=O
InChIInChI=1S/C23H30O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h6,10,12-13,16,19,21H,7-9,11H2,1-5H3/b10-6-
InChIKeyVVLFMVGBSRCTMD-POHAHGRESA-N
MW386.49 g/mol
LogP4.22
Rot. Bonds

About (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione

(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione (PubChem CID 71100309) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione.

Molecular Properties

Compound Name(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione
PubChem CID71100309
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione
SMILESCc1cc(C)c2c(c1)CCCC1OC(C)(C)OC1C(=O)/C=C\CC(C)OC2=O
InChIInChI=1S/C23H30O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h6,10,12-13,16,19,21H,7-9,11H2,1-5H3/b10-6-
InChIKeyVVLFMVGBSRCTMD-POHAHGRESA-N
XLogP4.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione?
The IUPAC name of (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione (CID 71100309) is (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione.
What is the SMILES notation for (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione?
The canonical SMILES for (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione is Cc1cc(C)c2c(c1)CCCC1OC(C)(C)OC1C(=O)/C=C\CC(C)OC2=O.
What is the InChIKey of (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione?
The InChIKey is VVLFMVGBSRCTMD-POHAHGRESA-N. The full InChI is InChI=1S/C23H30O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h6,10,12-13,16,19,21H,7-9,11H2,1-5H3/b10-6-.
What are the key properties of (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione?
(11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione has a molecular weight of 386.49 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),11,17,19-tetraene-10,16-dione is sourced from PubChem (CID 71100309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).