8-methyl-6,7-dihydro-4H-1,3-benzodioxine

C9H12O2 — CID 89384807

IUPAC8-methyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1=C2OCOCC2=CCC1
InChIInChI=1S/C9H12O2/c1-7-3-2-4-8-5-10-6-11-9(7)8/h4H,2-3,5-6H2,1H3
InChIKeyJDURUAWWYXXBOJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds

About 8-methyl-6,7-dihydro-4H-1,3-benzodioxine

8-methyl-6,7-dihydro-4H-1,3-benzodioxine (PubChem CID 89384807) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 8-methyl-6,7-dihydro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-methyl-6,7-dihydro-4H-1,3-benzodioxine
PubChem CID89384807
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name8-methyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1=C2OCOCC2=CCC1
InChIInChI=1S/C9H12O2/c1-7-3-2-4-8-5-10-6-11-9(7)8/h4H,2-3,5-6H2,1H3
InChIKeyJDURUAWWYXXBOJ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The IUPAC name of 8-methyl-6,7-dihydro-4H-1,3-benzodioxine (CID 89384807) is 8-methyl-6,7-dihydro-4H-1,3-benzodioxine.
What is the SMILES notation for 8-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The canonical SMILES for 8-methyl-6,7-dihydro-4H-1,3-benzodioxine is CC1=C2OCOCC2=CCC1.
What is the InChIKey of 8-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The InChIKey is JDURUAWWYXXBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-3-2-4-8-5-10-6-11-9(7)8/h4H,2-3,5-6H2,1H3.
What are the key properties of 8-methyl-6,7-dihydro-4H-1,3-benzodioxine?
8-methyl-6,7-dihydro-4H-1,3-benzodioxine has a molecular weight of 152.19 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,7-dihydro-4H-1,3-benzodioxine is sourced from PubChem (CID 89384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).