2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione

C10H12O4 — CID 10750379

IUPAC2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione
SMILESCC1(C)OC(=O)C2=C(O1)C(=O)CCC2
InChIInChI=1S/C10H12O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h3-5H2,1-2H3
InChIKeyNCGOKUDBUMAUDU-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.30
Rot. Bonds

About 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione

2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione (PubChem CID 10750379) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione.

Molecular Properties

Compound Name2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione
PubChem CID10750379
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione
SMILESCC1(C)OC(=O)C2=C(O1)C(=O)CCC2
InChIInChI=1S/C10H12O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h3-5H2,1-2H3
InChIKeyNCGOKUDBUMAUDU-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 11344377
3-Methoxy-3-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydroisochromene-1,4-dione
CID 101929917
2-But-3-enyl-2-methyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 15317716
2-Methyl-2-pent-4-enyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 15317722
5,6,7,8-Tetrahydro-1,3-benzodioxin-4-one
CID 20979474
3,3-Dimethoxy-5,6,7,8-tetrahydroisochromene-1,4-dione
CID 101929916
2-Hex-5-enyl-2-methyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 102115159
Ethyl 2-((ethoxycarbonyl)oxy)cyclohex-1-ene-1-carboxylate
CID 172878107

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione?
The IUPAC name of 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione (CID 10750379) is 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione.
What is the SMILES notation for 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione?
The canonical SMILES for 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione is CC1(C)OC(=O)C2=C(O1)C(=O)CCC2.
What is the InChIKey of 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione?
The InChIKey is NCGOKUDBUMAUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione?
2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione has a molecular weight of 196.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,7-dihydro-5H-1,3-benzodioxine-4,8-dione is sourced from PubChem (CID 10750379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).