4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one

C9H10O2 — CID 91084393

IUPAC4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
SMILESO=C1C2=CCC1C1COCC21
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1,6-8H,2-4H2
InChIKeyTWELLHGVRRNUTA-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.78
Rot. Bonds

About 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one

4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one (PubChem CID 91084393) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one.

Molecular Properties

Compound Name4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
PubChem CID91084393
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
SMILESO=C1C2=CCC1C1COCC21
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1,6-8H,2-4H2
InChIKeyTWELLHGVRRNUTA-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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7-(Methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one
CID 54161074
4-Oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 54171261
(2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 57051586
8-Acetyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 59944131
4-Oxatricyclo[5.2.1.02,6]dec-1(9)-ene-3,5,10-trione
CID 91191206
(3aR,4E,6R,6aS)-4-(methoxymethylidene)-6-propyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
CID 10632258
(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one
CID 10975662
(1S,2R,6S,7R)-5-methoxy-4-methyltricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 11412842
4-(2-Hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 86192623
(1R,2R,6R,7S)-4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 101671071

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one?
The IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one (CID 91084393) is 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one.
What is the SMILES notation for 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one?
The canonical SMILES for 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one is O=C1C2=CCC1C1COCC21.
What is the InChIKey of 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one?
The InChIKey is TWELLHGVRRNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1,6-8H,2-4H2.
What are the key properties of 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one?
4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one has a molecular weight of 150.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one is sourced from PubChem (CID 91084393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).