5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane

C13H30O2 — CID 143370070

IUPAC5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane
SMILESCC.CC.CC1=C(C)OCCO1.CCC
InChIInChI=1S/C6H10O2.C3H8.2C2H6/c1-5-6(2)8-4-3-7-5;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyODVSLVFXRWCYOQ-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.75
Rot. Bonds

About 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane

5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane (PubChem CID 143370070) has the molecular formula C13H30O2 and a molecular weight of 218.38 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane
PubChem CID143370070
Molecular FormulaC13H30O2
Molecular Weight218.38 g/mol
Exact Mass218.22
IUPAC Name5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane
SMILESCC.CC.CC1=C(C)OCCO1.CCC
InChIInChI=1S/C6H10O2.C3H8.2C2H6/c1-5-6(2)8-4-3-7-5;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyODVSLVFXRWCYOQ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-5,6-dimethyl-1,4-dioxin
CID 33008
2,3-Diethoxy-2-butene
CID 85436427
p-Dioxin, 2,3-dihydro-2,5,6-trimethyl-
CID 287963
(E)-2,3-diethoxybut-2-ene
CID 12203752
2-[2-(2-But-2-en-2-yloxyethoxy)ethoxy]but-2-ene
CID 87835237
2-(2-But-2-en-2-yloxyethoxy)but-2-ene
CID 91164778
5,6-Dimethyl-2,3-dihydro-1,4-dioxine;ethane
CID 91323625
2-Methoxy-3-propan-2-yloxybut-2-ene
CID 123355455
2,3-Bis(2-methoxyethoxy)but-2-ene
CID 123367676
1,2,4,6-Tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
CID 123552627
2-Methoxy-3-(2-methoxyethoxy)but-2-ene
CID 123686647
(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine
CID 129275772

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane?
The IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane (CID 143370070) is 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane?
The canonical SMILES for 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane is CC.CC.CC1=C(C)OCCO1.CCC.
What is the InChIKey of 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane?
The InChIKey is ODVSLVFXRWCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H8.2C2H6/c1-5-6(2)8-4-3-7-5;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane?
5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane has a molecular weight of 218.38 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydro-1,4-dioxine;ethane;propane is sourced from PubChem (CID 143370070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).