4,7-dimethyl-5,6-dihydro-1,3-benzodioxole

C9H12O2 — CID 143987366

IUPAC4,7-dimethyl-5,6-dihydro-1,3-benzodioxole
SMILESCC1=C2OCOC2=C(C)CC1
InChIInChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-5H2,1-2H3
InChIKeyAAQQQTKWFZCPJX-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.33
Rot. Bonds

About 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole

4,7-dimethyl-5,6-dihydro-1,3-benzodioxole (PubChem CID 143987366) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name4,7-dimethyl-5,6-dihydro-1,3-benzodioxole
PubChem CID143987366
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4,7-dimethyl-5,6-dihydro-1,3-benzodioxole
SMILESCC1=C2OCOC2=C(C)CC1
InChIInChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-5H2,1-2H3
InChIKeyAAQQQTKWFZCPJX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-1,3-dioxole
CID 13058524
4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane
CID 144506345
8-methyl-6,7-dihydro-4H-1,3-benzodioxine
CID 89384807
5,6-dimethyl-2,3-dihydro-1,4-dioxine;4,5-dimethyl-1,3-dioxole
CID 158529297
4,7-difluoro-3,8-dimethyl-2,6,9,10-tetrahydro-1H-benzo[c]chromene
CID 143998626
furo[3,4-d][1,3]dioxole-4,6-dione
CID 122223194
1-bromo-2-methylcyclobutene
CID 45090410
1,3-dioxetan-2-one
CID 10964397
2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene
CID 142364149
4,5-dimethoxy-1,3-dioxole
CID 141112983
1-(6,7-dihydro-1,3-benzodioxol-4-yl)-N-methylmethanamine
CID 144515633
5-methyl-1,3-benzodioxole
CID 142082223

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole?
The IUPAC name of 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole (CID 143987366) is 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole.
What is the SMILES notation for 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole?
The canonical SMILES for 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole is CC1=C2OCOC2=C(C)CC1.
What is the InChIKey of 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole?
The InChIKey is AAQQQTKWFZCPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole?
4,7-dimethyl-5,6-dihydro-1,3-benzodioxole has a molecular weight of 152.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5,6-dihydro-1,3-benzodioxole is sourced from PubChem (CID 143987366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).