1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one

C13H14O4 — CID 13190784

IUPAC1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
SMILESCOC12OC(C(=O)c3ccccc31)C(C)(C)O2
InChIInChI=1S/C13H14O4/c1-12(2)11-10(14)8-6-4-5-7-9(8)13(15-3,16-11)17-12/h4-7,11H,1-3H3
InChIKeyXFJXREVTUIMTIA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.83
Rot. Bonds1

About 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one

1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one (PubChem CID 13190784) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one.

Molecular Properties

Compound Name1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
PubChem CID13190784
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
SMILESCOC12OC(C(=O)c3ccccc31)C(C)(C)O2
InChIInChI=1S/C13H14O4/c1-12(2)11-10(14)8-6-4-5-7-9(8)13(15-3,16-11)17-12/h4-7,11H,1-3H3
InChIKeyXFJXREVTUIMTIA-UHFFFAOYSA-N
XLogP1.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one with MolForge

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Related Compounds

(1S,13R)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione
CID 10706216
(1R,13S)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione
CID 46854652
(1S,9R,10R)-10-[(4-fluorophenyl)methoxymethyl]-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11313933
13-Methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione
CID 21668715
Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 3',3a,4',5',6',11b-hexahydro-6'-methyl-
CID 369540
(1S,5S,7S)-2',4'-ditert-butyl-5-phenylspiro[6,8-dioxabicyclo[3.2.1]octane-7,6'-cyclohexa-2,4-diene]-1',2-dione
CID 11090520
(1S,9R,10S)-1-methoxy-10-(phenylmethoxymethyl)-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11347954
(4-bromophenyl)methyl (1S,9S,10S)-1-methoxy-10-methyl-8-oxo-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-10-carboxylate
CID 11350982
dimethyl (1R,9R)-1-methoxy-8-oxo-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate
CID 11758945
Spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
CID 11816514
1h-2-Benzopyran-4(3h)-one,1-(acetyloxy)-
CID 13171766
(1S,9R,10R)-10-(2,4-dichlorophenyl)-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190790

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one?
The IUPAC name of 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one (CID 13190784) is 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one.
What is the SMILES notation for 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one?
The canonical SMILES for 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one is COC12OC(C(=O)c3ccccc31)C(C)(C)O2.
What is the InChIKey of 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one?
The InChIKey is XFJXREVTUIMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-12(2)11-10(14)8-6-4-5-7-9(8)13(15-3,16-11)17-12/h4-7,11H,1-3H3.
What are the key properties of 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one?
1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one has a molecular weight of 234.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one is sourced from PubChem (CID 13190784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).