4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

C11H18O3 — CID 10465336

IUPAC4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(C)(C)OC1C=C
InChIInChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyNFDMLDBWZRDWFO-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (PubChem CID 10465336) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
PubChem CID10465336
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(C)(C)OC1C=C
InChIInChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyNFDMLDBWZRDWFO-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
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-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The IUPAC name of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (CID 10465336) is 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is C=CCOC1COC(C)(C)OC1C=C.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The InChIKey is NFDMLDBWZRDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is sourced from PubChem (CID 10465336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).