4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C17H20O4 — CID 86718797

IUPAC4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESC=CCC12C(=O)C(OC)=C(OC)C(=O)C1(C)C1C=CC2C1
InChIInChI=1S/C17H20O4/c1-5-8-17-11-7-6-10(9-11)16(17,2)14(18)12(20-3)13(21-4)15(17)19/h5-7,10-11H,1,8-9H2,2-4H3
InChIKeyCBPGVIXCAVXMAO-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.42
Rot. Bonds4

About 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 86718797) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID86718797
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESC=CCC12C(=O)C(OC)=C(OC)C(=O)C1(C)C1C=CC2C1
InChIInChI=1S/C17H20O4/c1-5-8-17-11-7-6-10(9-11)16(17,2)14(18)12(20-3)13(21-4)15(17)19/h5-7,10-11H,1,8-9H2,2-4H3
InChIKeyCBPGVIXCAVXMAO-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 86718797) is 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is C=CCC12C(=O)C(OC)=C(OC)C(=O)C1(C)C1C=CC2C1.
What is the InChIKey of 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is CBPGVIXCAVXMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-5-8-17-11-7-6-10(9-11)16(17,2)14(18)12(20-3)13(21-4)15(17)19/h5-7,10-11H,1,8-9H2,2-4H3.
What are the key properties of 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 288.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-7-prop-2-enyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 86718797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).