11-oxatricyclo[5.3.1.01,6]undec-6-ene

C10H14O — CID 166448924

IUPAC11-oxatricyclo[5.3.1.01,6]undec-6-ene
SMILESC1CCC23CCCC(=C2C1)O3
InChIInChI=1S/C10H14O/c1-2-6-10-7-3-5-9(11-10)8(10)4-1/h1-7H2
InChIKeyRHYBMDYEBQKAAE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.77
Rot. Bonds

About 11-oxatricyclo[5.3.1.01,6]undec-6-ene

11-oxatricyclo[5.3.1.01,6]undec-6-ene (PubChem CID 166448924) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 11-oxatricyclo[5.3.1.01,6]undec-6-ene.

Molecular Properties

Compound Name11-oxatricyclo[5.3.1.01,6]undec-6-ene
PubChem CID166448924
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name11-oxatricyclo[5.3.1.01,6]undec-6-ene
SMILESC1CCC23CCCC(=C2C1)O3
InChIInChI=1S/C10H14O/c1-2-6-10-7-3-5-9(11-10)8(10)4-1/h1-7H2
InChIKeyRHYBMDYEBQKAAE-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[5.3.1.01,6]undec-6-ene?
The IUPAC name of 11-oxatricyclo[5.3.1.01,6]undec-6-ene (CID 166448924) is 11-oxatricyclo[5.3.1.01,6]undec-6-ene.
What is the SMILES notation for 11-oxatricyclo[5.3.1.01,6]undec-6-ene?
The canonical SMILES for 11-oxatricyclo[5.3.1.01,6]undec-6-ene is C1CCC23CCCC(=C2C1)O3.
What is the InChIKey of 11-oxatricyclo[5.3.1.01,6]undec-6-ene?
The InChIKey is RHYBMDYEBQKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-6-10-7-3-5-9(11-10)8(10)4-1/h1-7H2.
What are the key properties of 11-oxatricyclo[5.3.1.01,6]undec-6-ene?
11-oxatricyclo[5.3.1.01,6]undec-6-ene has a molecular weight of 150.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[5.3.1.01,6]undec-6-ene is sourced from PubChem (CID 166448924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).