7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one

C22H22O8 — CID 42637614

IUPAC7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCOc1cc2c(c(-c3cc(OC)cc4c3C(=O)OC(C)(C)O4)c1)C(=O)OC(C)(C)O2
InChIInChI=1S/C22H22O8/c1-21(2)27-15-9-11(25-5)7-13(17(15)19(23)29-21)14-8-12(26-6)10-16-18(14)20(24)30-22(3,4)28-16/h7-10H,1-6H3
InChIKeyHJXNUEBBOYPDFM-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.94
Rot. Bonds3

About 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one

7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one (PubChem CID 42637614) has the molecular formula C22H22O8 and a molecular weight of 414.41 g/mol. Its IUPAC name is 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one
PubChem CID42637614
Molecular FormulaC22H22O8
Molecular Weight414.41 g/mol
Exact Mass414.13
IUPAC Name7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCOc1cc2c(c(-c3cc(OC)cc4c3C(=O)OC(C)(C)O4)c1)C(=O)OC(C)(C)O2
InChIInChI=1S/C22H22O8/c1-21(2)27-15-9-11(25-5)7-13(17(15)19(23)29-21)14-8-12(26-6)10-16-18(14)20(24)30-22(3,4)28-16/h7-10H,1-6H3
InChIKeyHJXNUEBBOYPDFM-UHFFFAOYSA-N
XLogP3.94
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
CID 11270047
7-methoxy-5-[2-[2-(methoxymethoxy)ethyl]-2-methyl-5-oxofuran-3-yl]-2,2-dimethyl-1,3-benzodioxin-4-one
CID 72702488
7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
CID 53305493
7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione
CID 11057281
5-[(E)-3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
CID 122220301
5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 44550512
2,2,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-benzodioxin-4-one
CID 170757289
5-(2-chlorophenyl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 102434881
methyl 2-[(2,2-dimethyl-4,5-dioxopyrano[4,3-d][1,3]dioxin-7-yl)amino]acetate
CID 82018758
7-(2-hydroxyethoxy)-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-benzodioxin-4-one
CID 11150905
2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one
CID 134847146
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one?
The IUPAC name of 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one (CID 42637614) is 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one.
What is the SMILES notation for 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one?
The canonical SMILES for 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one is COc1cc2c(c(-c3cc(OC)cc4c3C(=O)OC(C)(C)O4)c1)C(=O)OC(C)(C)O2.
What is the InChIKey of 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one?
The InChIKey is HJXNUEBBOYPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O8/c1-21(2)27-15-9-11(25-5)7-13(17(15)19(23)29-21)14-8-12(26-6)10-16-18(14)20(24)30-22(3,4)28-16/h7-10H,1-6H3.
What are the key properties of 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one?
7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one has a molecular weight of 414.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one is sourced from PubChem (CID 42637614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).