6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one

C12H12O4 — CID 12531628

IUPAC6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCC1(C)CC(=O)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C12H12O4/c1-12(2)5-8(13)7-3-10-11(15-6-14-10)4-9(7)16-12/h3-4H,5-6H2,1-2H3
InChIKeyMOXBXXGPHQPQAA-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.16
Rot. Bonds

About 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one

6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 12531628) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID12531628
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCC1(C)CC(=O)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C12H12O4/c1-12(2)5-8(13)7-3-10-11(15-6-14-10)4-9(7)16-12/h3-4H,5-6H2,1-2H3
InChIKeyMOXBXXGPHQPQAA-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 101277
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CID 442583
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CID 96118
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CID 5281805
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CID 243725
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one (CID 12531628) is 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one is CC1(C)CC(=O)c2cc3c(cc2O1)OCO3.
What is the InChIKey of 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is MOXBXXGPHQPQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-12(2)5-8(13)7-3-10-11(15-6-14-10)4-9(7)16-12/h3-4H,5-6H2,1-2H3.
What are the key properties of 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one?
6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 220.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 12531628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).