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

C12H20O2 — CID 138567900

IUPAC5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine
SMILESC=C1OC(C(C)C)=C(C)C(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-7(2)11-9(5)12(8(3)4)14-10(6)13-11/h7-8,11H,6H2,1-5H3
InChIKeyWDNHTSAELNNXMY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.46
Rot. Bonds2

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

5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine (PubChem CID 138567900) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine.

Molecular Properties

Compound Name5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine
PubChem CID138567900
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine
SMILESC=C1OC(C(C)C)=C(C)C(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-7(2)11-9(5)12(8(3)4)14-10(6)13-11/h7-8,11H,6H2,1-5H3
InChIKeyWDNHTSAELNNXMY-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine?
The IUPAC name of 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine (CID 138567900) is 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine.
What is the SMILES notation for 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine?
The canonical SMILES for 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine is C=C1OC(C(C)C)=C(C)C(C(C)C)O1.
What is the InChIKey of 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine?
The InChIKey is WDNHTSAELNNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)11-9(5)12(8(3)4)14-10(6)13-11/h7-8,11H,6H2,1-5H3.
What are the key properties of 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine?
5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine has a molecular weight of 196.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-4,6-di(propan-2-yl)-4H-1,3-dioxine is sourced from PubChem (CID 138567900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).