6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one

C10H12O2 — CID 12779206

IUPAC6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one
SMILESO=C1CC2COC3C1C=CCC23
InChIInChI=1S/C10H12O2/c11-9-4-6-5-12-10-7(6)2-1-3-8(9)10/h1,3,6-8,10H,2,4-5H2
InChIKeyWWHQFWBQXDUZKV-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.17
Rot. Bonds

About 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one

6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one (PubChem CID 12779206) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one.

Molecular Properties

Compound Name6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one
PubChem CID12779206
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one
SMILESO=C1CC2COC3C1C=CCC23
InChIInChI=1S/C10H12O2/c11-9-4-6-5-12-10-7(6)2-1-3-8(9)10/h1,3,6-8,10H,2,4-5H2
InChIKeyWWHQFWBQXDUZKV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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

1,2,3,7,8,8a-Hexahydro-8-methylene-2-(1-methylethyl)-4H-1,4a-(epoxymethano)naphthalen-4-one
CID 155282
9-Oxatetracyclo[5.4.0.0(3,10).0(4,8)]undeca-5-en-2-one
CID 144107
4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
CID 129847970
11-Deuterio-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-en-2-one
CID 23258442
(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one
CID 58610466
3-Oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 140617704
4,4a,6,6a,7,8,9,10,10a,11a-decahydro-3H-benzo[c][1]benzoxepin-11-one
CID 163532269
Ethanone, 1-(3-oxatricyclo[3.2.2.02,4]non-8-en-6-yl)-, (1alpha,2beta,4beta,5alpha,6alpha)-(9CI)
CID 10678582
(1S,5R,8R)-8-[(E)-but-2-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
CID 11447118
(1S,6S,7R,8S)-5-methylidene-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodec-2-en-10-one
CID 12814296
(1R,6S,7S,8S)-5-methylidene-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodec-2-en-10-one
CID 12814298
(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 23650905

Frequently Asked Questions

What is the IUPAC name of 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one?
The IUPAC name of 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one (CID 12779206) is 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one.
What is the SMILES notation for 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one?
The canonical SMILES for 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one is O=C1CC2COC3C1C=CCC23.
What is the InChIKey of 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one?
The InChIKey is WWHQFWBQXDUZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-4-6-5-12-10-7(6)2-1-3-8(9)10/h1,3,6-8,10H,2,4-5H2.
What are the key properties of 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one?
6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxatricyclo[5.4.0.04,8]undec-10-en-2-one is sourced from PubChem (CID 12779206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).