5,5-dimethyl-2-prop-2-enyl-1,3-dioxane

C9H16O2 — CID 19785766

IUPAC5,5-dimethyl-2-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OCC(C)(C)CO1
InChIInChI=1S/C9H16O2/c1-4-5-8-10-6-9(2,3)7-11-8/h4,8H,1,5-7H2,2-3H3
InChIKeyUGNVJMDSIURVQL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane

5,5-dimethyl-2-prop-2-enyl-1,3-dioxane (PubChem CID 19785766) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-prop-2-enyl-1,3-dioxane
PubChem CID19785766
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5,5-dimethyl-2-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OCC(C)(C)CO1
InChIInChI=1S/C9H16O2/c1-4-5-8-10-6-9(2,3)7-11-8/h4,8H,1,5-7H2,2-3H3
InChIKeyUGNVJMDSIURVQL-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 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane (CID 19785766) is 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane is C=CCC1OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane?
The InChIKey is UGNVJMDSIURVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-8-10-6-9(2,3)7-11-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane?
5,5-dimethyl-2-prop-2-enyl-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 5,5-dimethyl-2-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 19785766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).