4,7-dimethyl-4,5-dihydro-1,3-benzodioxole

C9H12O2 — CID 90299152

IUPAC4,7-dimethyl-4,5-dihydro-1,3-benzodioxole
SMILESCC1=CCC(C)C2=C1OCO2
InChIInChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3,7H,4-5H2,1-2H3
InChIKeyDMRROXMOYYYOJL-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.19
Rot. Bonds

About 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole

4,7-dimethyl-4,5-dihydro-1,3-benzodioxole (PubChem CID 90299152) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name4,7-dimethyl-4,5-dihydro-1,3-benzodioxole
PubChem CID90299152
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4,7-dimethyl-4,5-dihydro-1,3-benzodioxole
SMILESCC1=CCC(C)C2=C1OCO2
InChIInChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3,7H,4-5H2,1-2H3
InChIKeyDMRROXMOYYYOJL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole?
The IUPAC name of 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole (CID 90299152) is 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole.
What is the SMILES notation for 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole?
The canonical SMILES for 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole is CC1=CCC(C)C2=C1OCO2.
What is the InChIKey of 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole?
The InChIKey is DMRROXMOYYYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3,7H,4-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole?
4,7-dimethyl-4,5-dihydro-1,3-benzodioxole has a molecular weight of 152.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-4,5-dihydro-1,3-benzodioxole is sourced from PubChem (CID 90299152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).