2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine

C150H188O28 — CID 162083923

About 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine

2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine (PubChem CID 162083923) has the molecular formula C150H188O28 and a molecular weight of 2439.13 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine.

Molecular Properties

• Compound Name: 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine
• PubChem CID: 162083923
• Molecular Formula: C150H188O28
• Molecular Weight: 2439.13 g/mol
• Exact Mass: 2437.33
• IUPAC Name: 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine
• SMILES: CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(c1)OCOC2.CC(C)c1ccc2c(c1)OOC2.CC(C)c1ccc2c(c1)OOC2C.CC(C)c1ccc2c(c1)OOCC2.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2c1OOC2.CC(C)c1cccc2c1OOC2C.CC(C)c1cccc2c1OOCC2.CC1Oc2ccc(C(C)C)cc2O1.CC1Oc2cccc(C(C)C)c2O1
• InChI: InChI=1S/10C11H14O2.4C10H12O2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-4-5-10-8(3)12-13-11(10)6-9;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-7(2)9-5-4-6-10-8(3)12-13-11(9)10;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-13-11(9)7-10;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h4*4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3*3-5,8H,6-7H2,1-2H3;4*3-5,7H,6H2,1-2H3
• InChIKey: ZCRZEHFFQCLOGU-UHFFFAOYSA-N
• XLogP: 38.46
• TPSA: 258.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.13
LogP ≤ 5	38.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine?

The IUPAC name of 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine (CID 162083923) is 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine.

What is the SMILES notation for 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine?

The canonical SMILES for 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine is CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(c1)OCOC2.CC(C)c1ccc2c(c1)OOC2.CC(C)c1ccc2c(c1)OOC2C.CC(C)c1ccc2c(c1)OOCC2.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2c1OOC2.CC(C)c1cccc2c1OOC2C.CC(C)c1cccc2c1OOCC2.CC1Oc2ccc(C(C)C)cc2O1.CC1Oc2cccc(C(C)C)c2O1.

What is the InChIKey of 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine?

The InChIKey is ZCRZEHFFQCLOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/10C11H14O2.4C10H12O2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-4-5-10-8(3)12-13-11(10)6-9;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-7(2)9-5-4-6-10-8(3)12-13-11(9)10;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-13-11(9)7-10;1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h4*4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3*3-5,8H,6-7H2,1-2H3;4*3-5,7H,6H2,1-2H3.

What are the key properties of 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine?

2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine has a molecular weight of 2439.13 g/mol, XLogP of 38.46, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-propan-2-yl-1,3-benzodioxole;2-methyl-5-propan-2-yl-1,3-benzodioxole;3-methyl-6-propan-2-yl-3H-1,2-benzodioxole;3-methyl-7-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-4H-1,3-benzodioxine;8-propan-2-yl-4H-1,3-benzodioxine;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-3H-1,2-benzodioxole;7-propan-2-yl-3H-1,2-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-1,2-benzodioxine;8-propan-2-yl-3,4-dihydro-1,2-benzodioxine is sourced from PubChem (CID 162083923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).