5,6-di(propan-2-yl)-4H-1,3-dioxine

C10H18O2 — CID 118074203

IUPAC5,6-di(propan-2-yl)-4H-1,3-dioxine
SMILESCC(C)C1=C(C(C)C)OCOC1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-11-6-12-10(9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyHPRFIBGZAUYKAZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.56
Rot. Bonds2

About 5,6-di(propan-2-yl)-4H-1,3-dioxine

5,6-di(propan-2-yl)-4H-1,3-dioxine (PubChem CID 118074203) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-4H-1,3-dioxine.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-4H-1,3-dioxine
PubChem CID118074203
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,6-di(propan-2-yl)-4H-1,3-dioxine
SMILESCC(C)C1=C(C(C)C)OCOC1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-11-6-12-10(9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyHPRFIBGZAUYKAZ-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-di(propan-2-yl)-4H-1,3-dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-4H-1,3-dioxine?
The IUPAC name of 5,6-di(propan-2-yl)-4H-1,3-dioxine (CID 118074203) is 5,6-di(propan-2-yl)-4H-1,3-dioxine.
What is the SMILES notation for 5,6-di(propan-2-yl)-4H-1,3-dioxine?
The canonical SMILES for 5,6-di(propan-2-yl)-4H-1,3-dioxine is CC(C)C1=C(C(C)C)OCOC1.
What is the InChIKey of 5,6-di(propan-2-yl)-4H-1,3-dioxine?
The InChIKey is HPRFIBGZAUYKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-5-11-6-12-10(9)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-4H-1,3-dioxine?
5,6-di(propan-2-yl)-4H-1,3-dioxine has a molecular weight of 170.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-4H-1,3-dioxine is sourced from PubChem (CID 118074203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).