5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one

C11H10O4 — CID 88638845

IUPAC5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
SMILESCC1(C)CC(=O)c2cc3ooc3cc2O1
InChIInChI=1S/C11H10O4/c1-11(2)5-7(12)6-3-9-10(15-14-9)4-8(6)13-11/h3-4H,5H2,1-2H3
InChIKeyDTJPROPKOJHFEE-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.77
Rot. Bonds

About 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one

5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one (PubChem CID 88638845) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one.

Molecular Properties

Compound Name5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
PubChem CID88638845
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
SMILESCC1(C)CC(=O)c2cc3ooc3cc2O1
InChIInChI=1S/C11H10O4/c1-11(2)5-7(12)6-3-9-10(15-14-9)4-8(6)13-11/h3-4H,5H2,1-2H3
InChIKeyDTJPROPKOJHFEE-UHFFFAOYSA-N
XLogP2.77
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
CID 12531628
6-bromo-7-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 115410613
6-hydroxy-2,2-dimethyl-7-methylsulfanyl-3H-chromen-4-one
CID 102241810
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
CID 88921692
6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one
CID 57466601
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
6-bromo-7-ethoxy-2,2-dimethyl-3H-chromen-4-one
CID 22490922
2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-furo[2,3-g]chromen-8-one
CID 24862535
(E)-3-(7-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)prop-2-enoic acid
CID 134868016
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
7-(benzenesulfinyl)-2,2-dimethyl-3H-chromen-4-one
CID 143248180

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one?
The IUPAC name of 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one (CID 88638845) is 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one.
What is the SMILES notation for 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one?
The canonical SMILES for 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one is CC1(C)CC(=O)c2cc3ooc3cc2O1.
What is the InChIKey of 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one?
The InChIKey is DTJPROPKOJHFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-11(2)5-7(12)6-3-9-10(15-14-9)4-8(6)13-11/h3-4H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one?
5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one has a molecular weight of 206.20 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one is sourced from PubChem (CID 88638845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).