5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

C11H20O3 — CID 141400729

IUPAC5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1(CC)COC(C)(C)OC1
InChIInChI=1S/C11H20O3/c1-5-7-12-11(6-2)8-13-10(3,4)14-9-11/h5H,1,6-9H2,2-4H3
InChIKeySLCQPTRUSSMMAI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds4

About 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (PubChem CID 141400729) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
PubChem CID141400729
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1(CC)COC(C)(C)OC1
InChIInChI=1S/C11H20O3/c1-5-7-12-11(6-2)8-13-10(3,4)14-9-11/h5H,1,6-9H2,2-4H3
InChIKeySLCQPTRUSSMMAI-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
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 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The IUPAC name of 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (CID 141400729) is 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The canonical SMILES for 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is C=CCOC1(CC)COC(C)(C)OC1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The InChIKey is SLCQPTRUSSMMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-12-11(6-2)8-13-10(3,4)14-9-11/h5H,1,6-9H2,2-4H3.
What are the key properties of 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is sourced from PubChem (CID 141400729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).