4,4-dimethyl-1,3-benzodioxine

C10H12O2 — CID 45117132

IUPAC4,4-dimethyl-1,3-benzodioxine
SMILESCC1(C)OCOc2ccccc21
InChIInChI=1S/C10H12O2/c1-10(2)8-5-3-4-6-9(8)11-7-12-10/h3-6H,7H2,1-2H3
InChIKeyMHMZZIWBLDQCIN-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.29
Rot. Bonds

About 4,4-dimethyl-1,3-benzodioxine

4,4-dimethyl-1,3-benzodioxine (PubChem CID 45117132) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-benzodioxine.

Molecular Properties

Compound Name4,4-dimethyl-1,3-benzodioxine
PubChem CID45117132
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4,4-dimethyl-1,3-benzodioxine
SMILESCC1(C)OCOc2ccccc21
InChIInChI=1S/C10H12O2/c1-10(2)8-5-3-4-6-9(8)11-7-12-10/h3-6H,7H2,1-2H3
InChIKeyMHMZZIWBLDQCIN-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-benzodioxine?
The IUPAC name of 4,4-dimethyl-1,3-benzodioxine (CID 45117132) is 4,4-dimethyl-1,3-benzodioxine.
What is the SMILES notation for 4,4-dimethyl-1,3-benzodioxine?
The canonical SMILES for 4,4-dimethyl-1,3-benzodioxine is CC1(C)OCOc2ccccc21.
What is the InChIKey of 4,4-dimethyl-1,3-benzodioxine?
The InChIKey is MHMZZIWBLDQCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2)8-5-3-4-6-9(8)11-7-12-10/h3-6H,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3-benzodioxine?
4,4-dimethyl-1,3-benzodioxine has a molecular weight of 164.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-benzodioxine is sourced from PubChem (CID 45117132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).