5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C93H123NO10 — CID 161455936

About 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 161455936) has the molecular formula C93H123NO10 and a molecular weight of 1415.00 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 161455936
• Molecular Formula: C93H123NO10
• Molecular Weight: 1415.00 g/mol
• Exact Mass: 1413.91
• IUPAC Name: 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• SMILES: CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.Cc1c(C(C)C)ccc2c1OCCO2
• InChI: InChI=1S/C13H18.C12H16O2.3C12H16O.C11H15NO.C11H14O2.C10H12O2/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-4-5-11-12(9(10)3)14-7-6-13-11;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h7-10H,3-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;3*5-6,8-9H,3-4,7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3
• InChIKey: WBDMGRSFLISBNI-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 104.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1415.00
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 161455936) is 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.Cc1c(C(C)C)ccc2c1OCCO2.

What is the InChIKey of 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is WBDMGRSFLISBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H16O2.3C12H16O.C11H15NO.C11H14O2.C10H12O2/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-4-5-11-12(9(10)3)14-7-6-13-11;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h7-10H,3-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;3*5-6,8-9H,3-4,7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3.

What are the key properties of 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1415.00 g/mol, XLogP of 23.72, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(6-propan-2-yl-3,4-dihydro-2H-chromene);7-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161455936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).