6-methylcyclobuta[g][1,3]benzodioxole

C10H8O2 — CID 19761193

IUPAC6-methylcyclobuta[g][1,3]benzodioxole
SMILESCC1=Cc2c1ccc1c2OCO1
InChIInChI=1S/C10H8O2/c1-6-4-8-7(6)2-3-9-10(8)12-5-11-9/h2-4H,5H2,1H3
InChIKeyMOPOSTXKVMVTQQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.29
Rot. Bonds

About 6-methylcyclobuta[g][1,3]benzodioxole

6-methylcyclobuta[g][1,3]benzodioxole (PubChem CID 19761193) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-methylcyclobuta[g][1,3]benzodioxole.

Molecular Properties

Compound Name6-methylcyclobuta[g][1,3]benzodioxole
PubChem CID19761193
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name6-methylcyclobuta[g][1,3]benzodioxole
SMILESCC1=Cc2c1ccc1c2OCO1
InChIInChI=1S/C10H8O2/c1-6-4-8-7(6)2-3-9-10(8)12-5-11-9/h2-4H,5H2,1H3
InChIKeyMOPOSTXKVMVTQQ-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 ≤ 500160.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1,3-benzodioxole
CID 12958464
3-(4-methyl-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 140973764
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
1-methyl-3-(4-methyl-1,3-benzodioxol-5-yl)pyrazol-5-amine
CID 117334125
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
2-(4-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84766833
6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol
CID 102164044
7-ethyl-[1,3]dioxolo[4,5-e]isoindole-6,8-dione
CID 609171
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
CID 134174901
5-methyl-1,3-benzodioxole
CID 142082223

Frequently Asked Questions

What is the IUPAC name of 6-methylcyclobuta[g][1,3]benzodioxole?
The IUPAC name of 6-methylcyclobuta[g][1,3]benzodioxole (CID 19761193) is 6-methylcyclobuta[g][1,3]benzodioxole.
What is the SMILES notation for 6-methylcyclobuta[g][1,3]benzodioxole?
The canonical SMILES for 6-methylcyclobuta[g][1,3]benzodioxole is CC1=Cc2c1ccc1c2OCO1.
What is the InChIKey of 6-methylcyclobuta[g][1,3]benzodioxole?
The InChIKey is MOPOSTXKVMVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-6-4-8-7(6)2-3-9-10(8)12-5-11-9/h2-4H,5H2,1H3.
What are the key properties of 6-methylcyclobuta[g][1,3]benzodioxole?
6-methylcyclobuta[g][1,3]benzodioxole has a molecular weight of 160.17 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 6-methylcyclobuta[g][1,3]benzodioxole is sourced from PubChem (CID 19761193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).