5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane

C15H24O2 — CID 134267052

IUPAC5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC1CC(OCC(C)C)(C3)C2
InChIInChI=1S/C15H24O2/c1-10(2)9-16-15-6-12-4-13(7-15)11(3)17-14(5-12)8-15/h10,12-14H,3-9H2,1-2H3
InChIKeyHWFLGTHKFJULAZ-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds3

About 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane

5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane (PubChem CID 134267052) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane
PubChem CID134267052
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC1CC(OCC(C)C)(C3)C2
InChIInChI=1S/C15H24O2/c1-10(2)9-16-15-6-12-4-13(7-15)11(3)17-14(5-12)8-15/h10,12-14H,3-9H2,1-2H3
InChIKeyHWFLGTHKFJULAZ-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylidene-4-oxatricyclo[4.3.1.13,8]undecane
CID 20873013
1-(3-Methylbutan-2-yloxy)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
CID 57623980
1-(3-Methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
CID 88977761

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane (CID 134267052) is 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane is C=C1OC2CC3CC1CC(OCC(C)C)(C3)C2.
What is the InChIKey of 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane?
The InChIKey is HWFLGTHKFJULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)9-16-15-6-12-4-13(7-15)11(3)17-14(5-12)8-15/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane?
5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane has a molecular weight of 236.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 134267052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).