5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine

C13H18O2 — CID 126703124

IUPAC5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1c(CC(C)C)ccc2c1OCCO2
InChIInChI=1S/C13H18O2/c1-9(2)8-11-4-5-12-13(10(11)3)15-7-6-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyDBJQUVIKTMTYNK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine

5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 126703124) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID126703124
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1c(CC(C)C)ccc2c1OCCO2
InChIInChI=1S/C13H18O2/c1-9(2)8-11-4-5-12-13(10(11)3)15-7-6-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyDBJQUVIKTMTYNK-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84664778
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117298628
1-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
CID 117431271
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanal
CID 117314304
5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 146587329
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
1-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117353690
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356
7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 90860259
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
4-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid
CID 117379156
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 117321785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine (CID 126703124) is 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine is Cc1c(CC(C)C)ccc2c1OCCO2.
What is the InChIKey of 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DBJQUVIKTMTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)8-11-4-5-12-13(10(11)3)15-7-6-14-12/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine?
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 206.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 126703124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).