5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane

C14H22O3 — CID 14738893

IUPAC5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane
SMILESCC(C)=CC1CC(=C2OCC(C)(C)CO2)CO1
InChIInChI=1S/C14H22O3/c1-10(2)5-12-6-11(7-15-12)13-16-8-14(3,4)9-17-13/h5,12H,6-9H2,1-4H3
InChIKeySOPSAMLGCIEBFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.03
Rot. Bonds1

About 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane

5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane (PubChem CID 14738893) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane
PubChem CID14738893
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane
SMILESCC(C)=CC1CC(=C2OCC(C)(C)CO2)CO1
InChIInChI=1S/C14H22O3/c1-10(2)5-12-6-11(7-15-12)13-16-8-14(3,4)9-17-13/h5,12H,6-9H2,1-4H3
InChIKeySOPSAMLGCIEBFK-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.03
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 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane (CID 14738893) is 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane is CC(C)=CC1CC(=C2OCC(C)(C)CO2)CO1.
What is the InChIKey of 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane?
The InChIKey is SOPSAMLGCIEBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)5-12-6-11(7-15-12)13-16-8-14(3,4)9-17-13/h5,12H,6-9H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane?
5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane has a molecular weight of 238.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane is sourced from PubChem (CID 14738893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).