2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine

C13H17NO3 — CID 82116569

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7,12,14H,5-6,8H2,1-2H3
InChIKeyVKRQVZLRRPKKRC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.85
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine (PubChem CID 82116569) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
PubChem CID82116569
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7,12,14H,5-6,8H2,1-2H3
InChIKeyVKRQVZLRRPKKRC-UHFFFAOYSA-N
XLogP1.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine
CID 65101722
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
CID 82281355
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylcyclopropane-1-carbonitrile
CID 116841966
[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197766
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
CID 71380359
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxa-1-azaspiro[5.5]undecane
CID 62521799
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine (CID 82116569) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine is CC1(C)COC(c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is VKRQVZLRRPKKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7,12,14H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 235.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 82116569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).