7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one

C15H18O5 — CID 53305493

IUPAC7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
SMILESC=CCc1cc(OCOC)cc2c1C(=O)OC(C)(C)O2
InChIInChI=1S/C15H18O5/c1-5-6-10-7-11(18-9-17-4)8-12-13(10)14(16)20-15(2,3)19-12/h5,7-8H,1,6,9H2,2-4H3
InChIKeyZPEZVUMBUOXGON-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.68
Rot. Bonds5

About 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one

7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one (PubChem CID 53305493) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
PubChem CID53305493
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
SMILESC=CCc1cc(OCOC)cc2c1C(=O)OC(C)(C)O2
InChIInChI=1S/C15H18O5/c1-5-6-10-7-11(18-9-17-4)8-12-13(10)14(16)20-15(2,3)19-12/h5,7-8H,1,6,9H2,2-4H3
InChIKeyZPEZVUMBUOXGON-UHFFFAOYSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
CID 11148672
7-(2-hydroxyethoxy)-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-benzodioxin-4-one
CID 11150905
5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
CID 11270047
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
7-methoxy-5-[2-[2-(methoxymethoxy)ethyl]-2-methyl-5-oxofuran-3-yl]-2,2-dimethyl-1,3-benzodioxin-4-one
CID 72702488
[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate
CID 59903159
8-bromo-7-(methoxymethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 172603527
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751
2,2-dimethyl-7-phenylmethoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-benzodioxin-4-one
CID 163207670
5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600065
1-bromo-2-(methoxymethoxy)-5-methyl-3-prop-2-enylbenzene
CID 153312052
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
CID 59560396

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one?
The IUPAC name of 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one (CID 53305493) is 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one.
What is the SMILES notation for 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one?
The canonical SMILES for 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one is C=CCc1cc(OCOC)cc2c1C(=O)OC(C)(C)O2.
What is the InChIKey of 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one?
The InChIKey is ZPEZVUMBUOXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-5-6-10-7-11(18-9-17-4)8-12-13(10)14(16)20-15(2,3)19-12/h5,7-8H,1,6,9H2,2-4H3.
What are the key properties of 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one?
7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one has a molecular weight of 278.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one is sourced from PubChem (CID 53305493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).