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

C10H14O2 — CID 70253396

IUPAC6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine
SMILESCC1=CC(C)CC2=C1OCOC2
InChIInChI=1S/C10H14O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3,7H,4-6H2,1-2H3
InChIKeyIVJRDLTVNRJYBZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds

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

6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine (PubChem CID 70253396) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine
PubChem CID70253396
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine
SMILESCC1=CC(C)CC2=C1OCOC2
InChIInChI=1S/C10H14O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3,7H,4-6H2,1-2H3
InChIKeyIVJRDLTVNRJYBZ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine?
The IUPAC name of 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine (CID 70253396) is 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine.
What is the SMILES notation for 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine?
The canonical SMILES for 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine is CC1=CC(C)CC2=C1OCOC2.
What is the InChIKey of 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine?
The InChIKey is IVJRDLTVNRJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-8(2)10-9(4-7)5-11-6-12-10/h3,7H,4-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine?
6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine has a molecular weight of 166.22 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-5,6-dihydro-4H-1,3-benzodioxine is sourced from PubChem (CID 70253396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).