1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione

C22H20O4 — CID 11131833

IUPAC1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(C)COc1cccc2c1C(=O)c1cccc(OCC(=C)C)c1C2=O
InChIInChI=1S/C22H20O4/c1-13(2)11-25-17-9-5-7-15-19(17)21(23)16-8-6-10-18(20(16)22(15)24)26-12-14(3)4/h5-10H,1,3,11-12H2,2,4H3
InChIKeyZWOGYQULQOFUKR-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.37
Rot. Bonds6

About 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione

1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione (PubChem CID 11131833) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
PubChem CID11131833
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(C)COc1cccc2c1C(=O)c1cccc(OCC(=C)C)c1C2=O
InChIInChI=1S/C22H20O4/c1-13(2)11-25-17-9-5-7-15-19(17)21(23)16-8-6-10-18(20(16)22(15)24)26-12-14(3)4/h5-10H,1,3,11-12H2,2,4H3
InChIKeyZWOGYQULQOFUKR-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
CID 56934567
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 13005616
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione?
The IUPAC name of 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione (CID 11131833) is 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione.
What is the SMILES notation for 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione?
The canonical SMILES for 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione is C=C(C)COc1cccc2c1C(=O)c1cccc(OCC(=C)C)c1C2=O.
What is the InChIKey of 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione?
The InChIKey is ZWOGYQULQOFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-13(2)11-25-17-9-5-7-15-19(17)21(23)16-8-6-10-18(20(16)22(15)24)26-12-14(3)4/h5-10H,1,3,11-12H2,2,4H3.
What are the key properties of 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione?
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione has a molecular weight of 348.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione is sourced from PubChem (CID 11131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).