2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane

C13H20O2 — CID 23560970

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane
SMILESCC1(CC2CC3C=CC2C3)OCCCO1
InChIInChI=1S/C13H20O2/c1-13(14-5-2-6-15-13)9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyJMELPZXHPGHOJI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane

2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane (PubChem CID 23560970) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane
PubChem CID23560970
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane
SMILESCC1(CC2CC3C=CC2C3)OCCCO1
InChIInChI=1S/C13H20O2/c1-13(14-5-2-6-15-13)9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyJMELPZXHPGHOJI-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane (CID 23560970) is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane is CC1(CC2CC3C=CC2C3)OCCCO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane?
The InChIKey is JMELPZXHPGHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(14-5-2-6-15-13)9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane?
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane has a molecular weight of 208.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-dioxane is sourced from PubChem (CID 23560970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).