6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine

C13H16O4 — CID 82129515

IUPAC6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC1(c2ccc3c(c2)OCCO3)OCCCO1
InChIInChI=1S/C13H16O4/c1-13(16-5-2-6-17-13)10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,2,5-8H2,1H3
InChIKeyJDRRMKAXLJCIBI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.07
Rot. Bonds1

About 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine

6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 82129515) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID82129515
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC1(c2ccc3c(c2)OCCO3)OCCCO1
InChIInChI=1S/C13H16O4/c1-13(16-5-2-6-17-13)10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,2,5-8H2,1H3
InChIKeyJDRRMKAXLJCIBI-UHFFFAOYSA-N
XLogP2.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol
CID 83690712
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
CID 116846036
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,5-trimethylpyrrolidin-2-one
CID 66108922
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62714394
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methyl]cyclopropanamine
CID 62596832
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
CID 94175440
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylcyclohexan-1-amine
CID 62788659
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol
CID 116842464

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine (CID 82129515) is 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine is CC1(c2ccc3c(c2)OCCO3)OCCCO1.
What is the InChIKey of 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JDRRMKAXLJCIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-13(16-5-2-6-17-13)10-3-4-11-12(9-10)15-8-7-14-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine?
6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 236.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 82129515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).