7,7-dimethyl-6,8-dihydrochromene-4,5-dione

C11H12O3 — CID 14491206

IUPAC7,7-dimethyl-6,8-dihydrochromene-4,5-dione
SMILESCC1(C)CC(=O)c2c(occc2=O)C1
InChIInChI=1S/C11H12O3/c1-11(2)5-8(13)10-7(12)3-4-14-9(10)6-11/h3-4H,5-6H2,1-2H3
InChIKeyIUWSSKPMUSTYHZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.79
Rot. Bonds

About 7,7-dimethyl-6,8-dihydrochromene-4,5-dione

7,7-dimethyl-6,8-dihydrochromene-4,5-dione (PubChem CID 14491206) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dihydrochromene-4,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dihydrochromene-4,5-dione
PubChem CID14491206
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name7,7-dimethyl-6,8-dihydrochromene-4,5-dione
SMILESCC1(C)CC(=O)c2c(occc2=O)C1
InChIInChI=1S/C11H12O3/c1-11(2)5-8(13)10-7(12)3-4-14-9(10)6-11/h3-4H,5-6H2,1-2H3
InChIKeyIUWSSKPMUSTYHZ-UHFFFAOYSA-N
XLogP1.79
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dihydrochromene-4,5-dione?
The IUPAC name of 7,7-dimethyl-6,8-dihydrochromene-4,5-dione (CID 14491206) is 7,7-dimethyl-6,8-dihydrochromene-4,5-dione.
What is the SMILES notation for 7,7-dimethyl-6,8-dihydrochromene-4,5-dione?
The canonical SMILES for 7,7-dimethyl-6,8-dihydrochromene-4,5-dione is CC1(C)CC(=O)c2c(occc2=O)C1.
What is the InChIKey of 7,7-dimethyl-6,8-dihydrochromene-4,5-dione?
The InChIKey is IUWSSKPMUSTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(2)5-8(13)10-7(12)3-4-14-9(10)6-11/h3-4H,5-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dihydrochromene-4,5-dione?
7,7-dimethyl-6,8-dihydrochromene-4,5-dione has a molecular weight of 192.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dihydrochromene-4,5-dione is sourced from PubChem (CID 14491206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).