tricyclo[5.3.0.02,6]dec-8-en-3-one

C10H12O — CID 130038201

IUPACtricyclo[5.3.0.02,6]dec-8-en-3-one
SMILESO=C1CCC2C3C=CCC3C12
InChIInChI=1S/C10H12O/c11-9-5-4-8-6-2-1-3-7(6)10(8)9/h1-2,6-8,10H,3-5H2
InChIKeyAEJSVSKOMJDXAJ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.79
Rot. Bonds

About tricyclo[5.3.0.02,6]dec-8-en-3-one

tricyclo[5.3.0.02,6]dec-8-en-3-one (PubChem CID 130038201) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is tricyclo[5.3.0.02,6]dec-8-en-3-one.

Molecular Properties

Compound Nametricyclo[5.3.0.02,6]dec-8-en-3-one
PubChem CID130038201
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Nametricyclo[5.3.0.02,6]dec-8-en-3-one
SMILESO=C1CCC2C3C=CCC3C12
InChIInChI=1S/C10H12O/c11-9-5-4-8-6-2-1-3-7(6)10(8)9/h1-2,6-8,10H,3-5H2
InChIKeyAEJSVSKOMJDXAJ-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
tricyclo[5.4.0.02,8]undec-9-ene
CID 14143162
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
CID 102033792
8-(diethylamino)-4-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 10776147
(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
CID 58906730
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
(1R,2S,6R,7S)-3-oxatricyclo[5.3.0.02,6]decan-8-one
CID 15732126
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627
(1S,5S)-6,7-dichlorobicyclo[3.2.0]heptan-2-one
CID 10726026

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.0.02,6]dec-8-en-3-one?
The IUPAC name of tricyclo[5.3.0.02,6]dec-8-en-3-one (CID 130038201) is tricyclo[5.3.0.02,6]dec-8-en-3-one.
What is the SMILES notation for tricyclo[5.3.0.02,6]dec-8-en-3-one?
The canonical SMILES for tricyclo[5.3.0.02,6]dec-8-en-3-one is O=C1CCC2C3C=CCC3C12.
What is the InChIKey of tricyclo[5.3.0.02,6]dec-8-en-3-one?
The InChIKey is AEJSVSKOMJDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-9-5-4-8-6-2-1-3-7(6)10(8)9/h1-2,6-8,10H,3-5H2.
What are the key properties of tricyclo[5.3.0.02,6]dec-8-en-3-one?
tricyclo[5.3.0.02,6]dec-8-en-3-one has a molecular weight of 148.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.0.02,6]dec-8-en-3-one is sourced from PubChem (CID 130038201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).