(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one

C10H12O2 — CID 134864360

IUPAC(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one
SMILESO=C1CC[C@]23CCC=C2C[C@H]1O3
InChIInChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h2,9H,1,3-6H2/t9-,10-/m1/s1
InChIKeyLZDYZJCVHIRUEP-NXEZZACHSA-N
MW164.20 g/mol
LogP1.60
Rot. Bonds

About (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one

(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one (PubChem CID 134864360) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one.

Molecular Properties

Compound Name(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one
PubChem CID134864360
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one
SMILESO=C1CC[C@]23CCC=C2C[C@H]1O3
InChIInChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h2,9H,1,3-6H2/t9-,10-/m1/s1
InChIKeyLZDYZJCVHIRUEP-NXEZZACHSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,5S,7R)-6-methylidene-11-oxatricyclo[5.3.1.01,5]undecan-8-one
CID 11499310
11-Oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130036435
(1S,7R)-11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130985797
(1R,8R)-12-oxatricyclo[6.3.1.01,6]dodec-5-en-9-one
CID 135036944
(1S,7S)-3,11-dioxatricyclo[5.3.1.01,5]undec-5-ene-8,10-dione
CID 12177521
(1S,7S)-3,11-dioxatricyclo[5.3.1.01,5]undec-5-en-8-one
CID 12177518
3,11-Dioxatricyclo[5.3.1.01,5]undec-5-en-8-one
CID 21576837
3,11-Dioxatricyclo[5.3.1.01,5]undec-5-ene-8,10-dione
CID 21576838
(1S,5R,7S)-6-methylidene-11-oxatricyclo[5.3.1.01,5]undecan-8-one
CID 130765312
(1R,6S)-1,5-dimethyl-9-oxabicyclo[4.2.1]non-4-en-2-one
CID 132606509

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one?
The IUPAC name of (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one (CID 134864360) is (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one.
What is the SMILES notation for (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one?
The canonical SMILES for (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one is O=C1CC[C@]23CCC=C2C[C@H]1O3.
What is the InChIKey of (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one?
The InChIKey is LZDYZJCVHIRUEP-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h2,9H,1,3-6H2/t9-,10-/m1/s1.
What are the key properties of (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one?
(1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one has a molecular weight of 164.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-11-oxatricyclo[5.3.1.01,5]undec-4-en-8-one is sourced from PubChem (CID 134864360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).