5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine

C11H14O2 — CID 23531368

IUPAC5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine
SMILESC=C(C)C1=C(C(=C)C)OC(C)=CO1
InChIInChI=1S/C11H14O2/c1-7(2)10-11(8(3)4)13-9(5)6-12-10/h6H,1,3H2,2,4-5H3
InChIKeyXZYUSORKNOMFRU-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.26
Rot. Bonds2

About 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine

5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine (PubChem CID 23531368) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine.

Molecular Properties

Compound Name5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine
PubChem CID23531368
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine
SMILESC=C(C)C1=C(C(=C)C)OC(C)=CO1
InChIInChI=1S/C11H14O2/c1-7(2)10-11(8(3)4)13-9(5)6-12-10/h6H,1,3H2,2,4-5H3
InChIKeyXZYUSORKNOMFRU-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5,6-dimethyl-2H-pyran
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(3E,5E)-5-ethoxy-4-fluoro-2-methylhepta-1,3,5-triene
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CID 143320133
(2Z)-2-(1-fluoro-2-methylprop-2-enylidene)-3-methylidene-1,4-dioxane
CID 153336775
(3E)-3-ethoxy-2-fluoro-5-methylhexa-1,3,5-triene
CID 168225385
2,4-Dimethoxy-6-methylphenylmagnesium bromide
CID 10967081
(3E)-2-methyl-3-propan-2-yloxyhexa-1,3,5-trien-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine?
The IUPAC name of 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine (CID 23531368) is 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine.
What is the SMILES notation for 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine?
The canonical SMILES for 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine is C=C(C)C1=C(C(=C)C)OC(C)=CO1.
What is the InChIKey of 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine?
The InChIKey is XZYUSORKNOMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)10-11(8(3)4)13-9(5)6-12-10/h6H,1,3H2,2,4-5H3.
What are the key properties of 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine?
5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine has a molecular weight of 178.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-bis(prop-1-en-2-yl)-1,4-dioxine is sourced from PubChem (CID 23531368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).