5-ethyl-5-prop-1-en-2-yl-1,3-dioxane

C9H16O2 — CID 89146998

IUPAC5-ethyl-5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1(CC)COCOC1
InChIInChI=1S/C9H16O2/c1-4-9(8(2)3)5-10-7-11-6-9/h2,4-7H2,1,3H3
InChIKeyGIGCJQFQFFVVOB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane

5-ethyl-5-prop-1-en-2-yl-1,3-dioxane (PubChem CID 89146998) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-prop-1-en-2-yl-1,3-dioxane
PubChem CID89146998
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-ethyl-5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1(CC)COCOC1
InChIInChI=1S/C9H16O2/c1-4-9(8(2)3)5-10-7-11-6-9/h2,4-7H2,1,3H3
InChIKeyGIGCJQFQFFVVOB-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-prop-1-en-2-yl-1,3-dioxane?
The IUPAC name of 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane (CID 89146998) is 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane is C=C(C)C1(CC)COCOC1.
What is the InChIKey of 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane?
The InChIKey is GIGCJQFQFFVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(8(2)3)5-10-7-11-6-9/h2,4-7H2,1,3H3.
What are the key properties of 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane?
5-ethyl-5-prop-1-en-2-yl-1,3-dioxane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-prop-1-en-2-yl-1,3-dioxane is sourced from PubChem (CID 89146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).