6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine

C10H14O2 — CID 89285952

IUPAC6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1C=C2COCOC2=CC1C
InChIInChI=1S/C10H14O2/c1-7-3-9-5-11-6-12-10(9)4-8(7)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeySSWJCLPLZMOUPM-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.09
Rot. Bonds

About 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine

6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine (PubChem CID 89285952) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine
PubChem CID89285952
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1C=C2COCOC2=CC1C
InChIInChI=1S/C10H14O2/c1-7-3-9-5-11-6-12-10(9)4-8(7)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeySSWJCLPLZMOUPM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine?
The IUPAC name of 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine (CID 89285952) is 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine.
What is the SMILES notation for 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine?
The canonical SMILES for 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine is CC1C=C2COCOC2=CC1C.
What is the InChIKey of 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine?
The InChIKey is SSWJCLPLZMOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-9-5-11-6-12-10(9)4-8(7)2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine?
6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine has a molecular weight of 166.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-6,7-dihydro-4H-1,3-benzodioxine is sourced from PubChem (CID 89285952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).