5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane

C11H16O — CID 20873013

IUPAC5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16O/c1-7-10-3-8-2-9(4-10)6-11(5-8)12-7/h8-11H,1-6H2
InChIKeyRBGDLQAWMKPHIX-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.73
Rot. Bonds

About 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane

5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane (PubChem CID 20873013) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
PubChem CID20873013
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16O/c1-7-10-3-8-2-9(4-10)6-11(5-8)12-7/h8-11H,1-6H2
InChIKeyRBGDLQAWMKPHIX-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane (CID 20873013) is 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane is C=C1OC2CC3CC(C2)CC1C3.
What is the InChIKey of 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The InChIKey is RBGDLQAWMKPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7-10-3-8-2-9(4-10)6-11(5-8)12-7/h8-11H,1-6H2.
What are the key properties of 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane has a molecular weight of 164.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 20873013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).