2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane

C11H20O2 — CID 70499490

IUPAC2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
SMILESC=CC1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C11H20O2/c1-6-9-12-7-11(4,5)10(13-9)8(2)3/h6,8-10H,1,7H2,2-5H3
InChIKeyRMLKHTPYFMJYSZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.60
Rot. Bonds2

About 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane

2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane (PubChem CID 70499490) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
PubChem CID70499490
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
SMILESC=CC1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C11H20O2/c1-6-9-12-7-11(4,5)10(13-9)8(2)3/h6,8-10H,1,7H2,2-5H3
InChIKeyRMLKHTPYFMJYSZ-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.60
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 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane (CID 70499490) is 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane is C=CC1OCC(C)(C)C(C(C)C)O1.
What is the InChIKey of 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane?
The InChIKey is RMLKHTPYFMJYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-9-12-7-11(4,5)10(13-9)8(2)3/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane?
2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5,5-dimethyl-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 70499490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).