(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione

C19H22O3 — CID 5477666

IUPAC(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
SMILESCC1=C2CC(C)(C)/C=C\C(=O)/C(C)=C\C3=CCCC3(O2)C1=O
InChIInChI=1S/C19H22O3/c1-12-10-14-6-5-8-19(14)17(21)13(2)16(22-19)11-18(3,4)9-7-15(12)20/h6-7,9-10H,5,8,11H2,1-4H3/b9-7-,12-10-
InChIKeyHNYAMVPKAUHRLY-GEHMVYPESA-N
MW298.38 g/mol
LogP3.82
Rot. Bonds

About (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione

(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione (PubChem CID 5477666) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione.

Molecular Properties

Compound Name(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
PubChem CID5477666
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
SMILESCC1=C2CC(C)(C)/C=C\C(=O)/C(C)=C\C3=CCCC3(O2)C1=O
InChIInChI=1S/C19H22O3/c1-12-10-14-6-5-8-19(14)17(21)13(2)16(22-19)11-18(3,4)9-7-15(12)20/h6-7,9-10H,5,8,11H2,1-4H3/b9-7-,12-10-
InChIKeyHNYAMVPKAUHRLY-GEHMVYPESA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione?
The IUPAC name of (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione (CID 5477666) is (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione.
What is the SMILES notation for (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione?
The canonical SMILES for (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione is CC1=C2CC(C)(C)/C=C\C(=O)/C(C)=C\C3=CCCC3(O2)C1=O.
What is the InChIKey of (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione?
The InChIKey is HNYAMVPKAUHRLY-GEHMVYPESA-N. The full InChI is InChI=1S/C19H22O3/c1-12-10-14-6-5-8-19(14)17(21)13(2)16(22-19)11-18(3,4)9-7-15(12)20/h6-7,9-10H,5,8,11H2,1-4H3/b9-7-,12-10-.
What are the key properties of (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione?
(6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione has a molecular weight of 298.38 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-7,11,11,14-tetramethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione is sourced from PubChem (CID 5477666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).