2,4,5,6-tetramethyl-4H-1,3-dioxine

C8H14O2 — CID 146599886

IUPAC2,4,5,6-tetramethyl-4H-1,3-dioxine
SMILESCC1=C(C)C(C)OC(C)O1
InChIInChI=1S/C8H14O2/c1-5-6(2)9-8(4)10-7(5)3/h6,8H,1-4H3
InChIKeyLCNBVLHEQRURDR-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds

About 2,4,5,6-tetramethyl-4H-1,3-dioxine

2,4,5,6-tetramethyl-4H-1,3-dioxine (PubChem CID 146599886) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-4H-1,3-dioxine.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-4H-1,3-dioxine
PubChem CID146599886
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,4,5,6-tetramethyl-4H-1,3-dioxine
SMILESCC1=C(C)C(C)OC(C)O1
InChIInChI=1S/C8H14O2/c1-5-6(2)9-8(4)10-7(5)3/h6,8H,1-4H3
InChIKeyLCNBVLHEQRURDR-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-4H-1,3-dioxine?
The IUPAC name of 2,4,5,6-tetramethyl-4H-1,3-dioxine (CID 146599886) is 2,4,5,6-tetramethyl-4H-1,3-dioxine.
What is the SMILES notation for 2,4,5,6-tetramethyl-4H-1,3-dioxine?
The canonical SMILES for 2,4,5,6-tetramethyl-4H-1,3-dioxine is CC1=C(C)C(C)OC(C)O1.
What is the InChIKey of 2,4,5,6-tetramethyl-4H-1,3-dioxine?
The InChIKey is LCNBVLHEQRURDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-6(2)9-8(4)10-7(5)3/h6,8H,1-4H3.
What are the key properties of 2,4,5,6-tetramethyl-4H-1,3-dioxine?
2,4,5,6-tetramethyl-4H-1,3-dioxine has a molecular weight of 142.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-4H-1,3-dioxine is sourced from PubChem (CID 146599886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).