4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one

C10H12O2 — CID 54403883

IUPAC4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1C(O)CC2C3C=CC(C3)C12
InChIInChI=1S/C10H12O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-9,11H,3-4H2
InChIKeyVPHUQGPYTRLGOO-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.76
Rot. Bonds

About 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one

4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 54403883) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID54403883
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1C(O)CC2C3C=CC(C3)C12
InChIInChI=1S/C10H12O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-9,11H,3-4H2
InChIKeyVPHUQGPYTRLGOO-UHFFFAOYSA-N
XLogP0.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3aS,4R,5R,6aS)-5-hydroxy-1,4-bis(prop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90682016
(1S,3aR,5R,6R,6aS)-5-hydroxy-1,6-bis(prop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90682017
1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone
CID 362194
(2S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 13100176
1-[(1S,3S,3aR,3bS,6aR,7aS)-3-hydroxy-1-prop-2-enyl-1,2,3,3a,3b,4,6a,7-octahydrocyclopenta[a]pentalen-7a-yl]ethanone
CID 101216580
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 134979365
1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-cyclohexyl-2-hydroxyethanone
CID 134980831
2-Hydroxy-1-(1-methylbicyclo[2.2.1]hept-5-en-2-yl)propan-1-one
CID 556689
(2S)-2-hydroxy-1-[(1R,2S,4S)-1-methyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one
CID 10012524
(2S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-hydroxypropan-1-one
CID 10034968
(2S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-hydroxypropan-1-one
CID 10442049
(1R,3aS,5S,6aS)-5-hydroxy-1-(3-methylbut-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 45276484

Frequently Asked Questions

What is the IUPAC name of 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 54403883) is 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1C(O)CC2C3C=CC(C3)C12.
What is the InChIKey of 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is VPHUQGPYTRLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h1-2,5-9,11H,3-4H2.
What are the key properties of 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 164.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 54403883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).