2,2,3,3,5-pentamethyl-1,4-dioxine

C9H16O2 — CID 12591607

IUPAC2,2,3,3,5-pentamethyl-1,4-dioxine
SMILESCC1=COC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7-6-10-8(2,3)9(4,5)11-7/h6H,1-5H3
InChIKeyXYDRLRMBSMSADV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds

About 2,2,3,3,5-pentamethyl-1,4-dioxine

2,2,3,3,5-pentamethyl-1,4-dioxine (PubChem CID 12591607) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2,3,3,5-pentamethyl-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,3,5-pentamethyl-1,4-dioxine
PubChem CID12591607
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,2,3,3,5-pentamethyl-1,4-dioxine
SMILESCC1=COC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7-6-10-8(2,3)9(4,5)11-7/h6H,1-5H3
InChIKeyXYDRLRMBSMSADV-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,5,6-Hexamethyl-1,4-dioxine
CID 122631119
1,2,4,6-Tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
CID 123552627
2-Methyl-2-(2-prop-1-enoxyethoxy)propane
CID 139983712
3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine
CID 143588141
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176604278
2-Methyl-2-(2-prop-1-en-2-yloxyethoxy)propane
CID 158148577
2-Methyl-2-(2-prop-1-en-2-yloxypropoxy)propane
CID 158148579

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentamethyl-1,4-dioxine?
The IUPAC name of 2,2,3,3,5-pentamethyl-1,4-dioxine (CID 12591607) is 2,2,3,3,5-pentamethyl-1,4-dioxine.
What is the SMILES notation for 2,2,3,3,5-pentamethyl-1,4-dioxine?
The canonical SMILES for 2,2,3,3,5-pentamethyl-1,4-dioxine is CC1=COC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,2,3,3,5-pentamethyl-1,4-dioxine?
The InChIKey is XYDRLRMBSMSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-6-10-8(2,3)9(4,5)11-7/h6H,1-5H3.
What are the key properties of 2,2,3,3,5-pentamethyl-1,4-dioxine?
2,2,3,3,5-pentamethyl-1,4-dioxine has a molecular weight of 156.22 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentamethyl-1,4-dioxine is sourced from PubChem (CID 12591607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).