5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine

C20H22O4 — CID 146587329

IUPAC5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc2c(c1C)OCC(Cc1ccc3c(c1C)OCCO3)O2
InChIInChI=1S/C20H22O4/c1-12-4-6-18-19(13(12)2)23-11-16(24-18)10-15-5-7-17-20(14(15)3)22-9-8-21-17/h4-7,16H,8-11H2,1-3H3
InChIKeyAGHBBMHDLSIDJO-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.77
Rot. Bonds2

About 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine

5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 146587329) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID146587329
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc2c(c1C)OCC(Cc1ccc3c(c1C)OCCO3)O2
InChIInChI=1S/C20H22O4/c1-12-4-6-18-19(13(12)2)23-11-16(24-18)10-15-5-7-17-20(14(15)3)22-9-8-21-17/h4-7,16H,8-11H2,1-3H3
InChIKeyAGHBBMHDLSIDJO-UHFFFAOYSA-N
XLogP3.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine with MolForge

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Related Compounds

5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84664778
4,5-dimethyl-1,3-benzodioxole
CID 12958464
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117298628
2,2-dimethyl-3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 117415131
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
2,4,5-trimethyl-1,3-benzodioxole
CID 175318091
(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117359951
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862
4-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid
CID 117379156

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 146587329) is 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine is Cc1ccc2c(c1C)OCC(Cc1ccc3c(c1C)OCCO3)O2.
What is the InChIKey of 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AGHBBMHDLSIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-12-4-6-18-19(13(12)2)23-11-16(24-18)10-15-5-7-17-20(14(15)3)22-9-8-21-17/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 326.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 146587329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).