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

C12H14O2 — CID 85204103

IUPAC6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC1=CC(O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3
InChIKeyCHIUPHMXZMTGCK-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.31
Rot. Bonds

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

6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 85204103) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID85204103
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC1=CC(O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3
InChIKeyCHIUPHMXZMTGCK-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.31
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

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Sterostrein J
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Sterostrein K
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 85204103) is 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is CC1=CC(O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is CHIUPHMXZMTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3.
What are the key properties of 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 190.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 85204103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).