2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione

C16H14O6 — CID 144552861

IUPAC2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione
SMILESC=CC(=O)C1=CC(OC)=C2C(=O)C(OC)=CC(OC)=C2C1=O
InChIInChI=1S/C16H14O6/c1-5-9(17)8-6-10(20-2)14-13(15(8)18)11(21-3)7-12(22-4)16(14)19/h5-7H,1H2,2-4H3
InChIKeyJYXLFBDVENAQPZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.16
Rot. Bonds5

About 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione

2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione (PubChem CID 144552861) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione.

Molecular Properties

Compound Name2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione
PubChem CID144552861
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione
SMILESC=CC(=O)C1=CC(OC)=C2C(=O)C(OC)=CC(OC)=C2C1=O
InChIInChI=1S/C16H14O6/c1-5-9(17)8-6-10(20-2)14-13(15(8)18)11(21-3)7-12(22-4)16(14)19/h5-7H,1H2,2-4H3
InChIKeyJYXLFBDVENAQPZ-UHFFFAOYSA-N
XLogP1.16
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione?
The IUPAC name of 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione (CID 144552861) is 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione.
What is the SMILES notation for 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione?
The canonical SMILES for 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione is C=CC(=O)C1=CC(OC)=C2C(=O)C(OC)=CC(OC)=C2C1=O.
What is the InChIKey of 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione?
The InChIKey is JYXLFBDVENAQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-5-9(17)8-6-10(20-2)14-13(15(8)18)11(21-3)7-12(22-4)16(14)19/h5-7H,1H2,2-4H3.
What are the key properties of 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione?
2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione has a molecular weight of 302.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethoxy-6-prop-2-enoylnaphthalene-1,5-dione is sourced from PubChem (CID 144552861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).