3,6-dimethyl-3,6-dihydro-1,2-dioxine

C6H10O2 — CID 13130002

IUPAC3,6-dimethyl-3,6-dihydro-1,2-dioxine
SMILESCC1C=CC(C)OO1
InChIInChI=1S/C6H10O2/c1-5-3-4-6(2)8-7-5/h3-6H,1-2H3
InChIKeyMDEFHXLAVXLQJA-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds

About 3,6-dimethyl-3,6-dihydro-1,2-dioxine

3,6-dimethyl-3,6-dihydro-1,2-dioxine (PubChem CID 13130002) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name3,6-dimethyl-3,6-dihydro-1,2-dioxine
PubChem CID13130002
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3,6-dimethyl-3,6-dihydro-1,2-dioxine
SMILESCC1C=CC(C)OO1
InChIInChI=1S/C6H10O2/c1-5-3-4-6(2)8-7-5/h3-6H,1-2H3
InChIKeyMDEFHXLAVXLQJA-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,6-dihydro-1,2-dioxine?
The IUPAC name of 3,6-dimethyl-3,6-dihydro-1,2-dioxine (CID 13130002) is 3,6-dimethyl-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for 3,6-dimethyl-3,6-dihydro-1,2-dioxine?
The canonical SMILES for 3,6-dimethyl-3,6-dihydro-1,2-dioxine is CC1C=CC(C)OO1.
What is the InChIKey of 3,6-dimethyl-3,6-dihydro-1,2-dioxine?
The InChIKey is MDEFHXLAVXLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-3-4-6(2)8-7-5/h3-6H,1-2H3.
What are the key properties of 3,6-dimethyl-3,6-dihydro-1,2-dioxine?
3,6-dimethyl-3,6-dihydro-1,2-dioxine has a molecular weight of 114.14 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 13130002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).