6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

C11H12O2 — CID 20778726

IUPAC6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESO=C1C=CC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-8,10-12H,5H2
InChIKeyWULXBAZKDROCDP-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.92
Rot. Bonds

About 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 20778726) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID20778726
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESO=C1C=CC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-8,10-12H,5H2
InChIKeyWULXBAZKDROCDP-UHFFFAOYSA-N
XLogP0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.92
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,2S,6S,7R,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 162661405
(7R)-1,4-epi-7-hydroxyacoren-10-one
CID 132500220
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 11805300
6-Hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 72784755
(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
CID 15867192
(4R,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
CID 101967160
(1S,2R,6R,7S,8R)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 11019417
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11137652
(1R,2S,6R,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 131004253
(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 134831870
(6S)-6-hydroxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 134973798
(1R,2R,6R,7R,8S)-6-hydroxy-5-methoxy-1-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 139053501

Frequently Asked Questions

What is the IUPAC name of 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 20778726) is 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is O=C1C=CC(O)C2C3C=CC(C3)C12.
What is the InChIKey of 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is WULXBAZKDROCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-8,10-12H,5H2.
What are the key properties of 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 176.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 20778726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).