4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane

C14H24O3 — CID 89397613

IUPAC4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane
SMILESC=C1CC(CC)OC(CC2CCOC(C)O2)C1
InChIInChI=1S/C14H24O3/c1-4-12-7-10(2)8-14(17-12)9-13-5-6-15-11(3)16-13/h11-14H,2,4-9H2,1,3H3
InChIKeyXFBXBHGEIZHDQI-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.04
Rot. Bonds3

About 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane

4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane (PubChem CID 89397613) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane
PubChem CID89397613
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane
SMILESC=C1CC(CC)OC(CC2CCOC(C)O2)C1
InChIInChI=1S/C14H24O3/c1-4-12-7-10(2)8-14(17-12)9-13-5-6-15-11(3)16-13/h11-14H,2,4-9H2,1,3H3
InChIKeyXFBXBHGEIZHDQI-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane?
The IUPAC name of 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane (CID 89397613) is 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane.
What is the SMILES notation for 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane?
The canonical SMILES for 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane is C=C1CC(CC)OC(CC2CCOC(C)O2)C1.
What is the InChIKey of 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane?
The InChIKey is XFBXBHGEIZHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-12-7-10(2)8-14(17-12)9-13-5-6-15-11(3)16-13/h11-14H,2,4-9H2,1,3H3.
What are the key properties of 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane?
4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane has a molecular weight of 240.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane is sourced from PubChem (CID 89397613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).