5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane

C10H18O2 — CID 56635337

IUPAC5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
SMILESC=C(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3
InChIKeyRBFRXJPEDOWCAP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds2

About 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane

5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane (PubChem CID 56635337) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
PubChem CID56635337
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
SMILESC=C(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3
InChIKeyRBFRXJPEDOWCAP-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane (CID 56635337) is 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane is C=C(C)CC1OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The InChIKey is RBFRXJPEDOWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 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-(2-methylprop-2-enyl)-1,3-dioxane is sourced from PubChem (CID 56635337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).