4-methylidene-2-propyl-1,3-dioxane

C8H14O2 — CID 11971173

IUPAC4-methylidene-2-propyl-1,3-dioxane
SMILESC=C1CCOC(CCC)O1
InChIInChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3
InChIKeyFAGLUDRGGWLUKA-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds2

About 4-methylidene-2-propyl-1,3-dioxane

4-methylidene-2-propyl-1,3-dioxane (PubChem CID 11971173) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methylidene-2-propyl-1,3-dioxane.

Molecular Properties

Compound Name4-methylidene-2-propyl-1,3-dioxane
PubChem CID11971173
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methylidene-2-propyl-1,3-dioxane
SMILESC=C1CCOC(CCC)O1
InChIInChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3
InChIKeyFAGLUDRGGWLUKA-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-propyl-1,3-dioxane?
The IUPAC name of 4-methylidene-2-propyl-1,3-dioxane (CID 11971173) is 4-methylidene-2-propyl-1,3-dioxane.
What is the SMILES notation for 4-methylidene-2-propyl-1,3-dioxane?
The canonical SMILES for 4-methylidene-2-propyl-1,3-dioxane is C=C1CCOC(CCC)O1.
What is the InChIKey of 4-methylidene-2-propyl-1,3-dioxane?
The InChIKey is FAGLUDRGGWLUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3.
What are the key properties of 4-methylidene-2-propyl-1,3-dioxane?
4-methylidene-2-propyl-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-propyl-1,3-dioxane is sourced from PubChem (CID 11971173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).