2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine

C10H18O4 — CID 544726

IUPAC2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1OC2OC(C)C(C)OC2OC1C
InChIInChI=1S/C10H18O4/c1-5-6(2)12-10-9(11-5)13-7(3)8(4)14-10/h5-10H,1-4H3
InChIKeyRNGOIHXSDODYDF-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds

About 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine

2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (PubChem CID 544726) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
PubChem CID544726
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1OC2OC(C)C(C)OC2OC1C
InChIInChI=1S/C10H18O4/c1-5-6(2)12-10-9(11-5)13-7(3)8(4)14-10/h5-10H,1-4H3
InChIKeyRNGOIHXSDODYDF-UHFFFAOYSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The IUPAC name of 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (CID 544726) is 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.
What is the SMILES notation for 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The canonical SMILES for 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is CC1OC2OC(C)C(C)OC2OC1C.
What is the InChIKey of 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The InChIKey is RNGOIHXSDODYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-6(2)12-10-9(11-5)13-7(3)8(4)14-10/h5-10H,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine has a molecular weight of 202.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is sourced from PubChem (CID 544726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).