(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane

C11H16O — CID 154691674

IUPAC(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane
SMILESC=C1C[C@H]2CC[C@]3(CCCC13)O2
InChIInChI=1S/C11H16O/c1-8-7-9-4-6-11(12-9)5-2-3-10(8)11/h9-10H,1-7H2/t9-,10?,11+/m1/s1
InChIKeyIFTVKHWCBNENLW-FBKFWFMHSA-N
MW164.25 g/mol
LogP2.66
Rot. Bonds

About (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane

(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane (PubChem CID 154691674) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane.

Molecular Properties

Compound Name(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane
PubChem CID154691674
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane
SMILESC=C1C[C@H]2CC[C@]3(CCCC13)O2
InChIInChI=1S/C11H16O/c1-8-7-9-4-6-11(12-9)5-2-3-10(8)11/h9-10H,1-7H2/t9-,10?,11+/m1/s1
InChIKeyIFTVKHWCBNENLW-FBKFWFMHSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane?
The IUPAC name of (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane (CID 154691674) is (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane.
What is the SMILES notation for (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane?
The canonical SMILES for (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane is C=C1C[C@H]2CC[C@]3(CCCC13)O2.
What is the InChIKey of (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane?
The InChIKey is IFTVKHWCBNENLW-FBKFWFMHSA-N. The full InChI is InChI=1S/C11H16O/c1-8-7-9-4-6-11(12-9)5-2-3-10(8)11/h9-10H,1-7H2/t9-,10?,11+/m1/s1.
What are the key properties of (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane?
(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane has a molecular weight of 164.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane is sourced from PubChem (CID 154691674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).