9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one

C11H14O2 — CID 554537

IUPAC9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one
SMILESCOC1CC2C=CC3CC(=O)C1C32
InChIInChI=1S/C11H14O2/c1-13-9-5-7-3-2-6-4-8(12)11(9)10(6)7/h2-3,6-7,9-11H,4-5H2,1H3
InChIKeyZZKMVTGDZKHJGY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.41
Rot. Bonds1

About 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one

9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one (PubChem CID 554537) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one.

Molecular Properties

Compound Name9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one
PubChem CID554537
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one
SMILESCOC1CC2C=CC3CC(=O)C1C32
InChIInChI=1S/C11H14O2/c1-13-9-5-7-3-2-6-4-8(12)11(9)10(6)7/h2-3,6-7,9-11H,4-5H2,1H3
InChIKeyZZKMVTGDZKHJGY-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.41
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

[(1R,5R,6S,8R,11R)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] acetate
CID 15906467
[(1S,5R,6S,8R,11R)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] acetate
CID 162972563
[(1S,5R,6S,8R,11R)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] propanoate
CID 162988477
Methyl 4-oxotricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate
CID 135066799
5-Hydroxy-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 279284
[(5R,6R,11R)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] 2-methylpropanoate
CID 11781680
[(5R,6S,11R)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] acetate
CID 101174491
(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one
CID 175754568
methyl (1R,3R,7S)-3-methyl-5-oxotricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
CID 10513113
(1S,2R,5S,6S,7R)-5-[(2-methylpropan-2-yl)oxy]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10857014
methyl (1S,5R,8S)-5-methyl-4-oxotricyclo[6.3.0.01,5]undec-9-ene-3-carboxylate
CID 10879056
(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10899020

Frequently Asked Questions

What is the IUPAC name of 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one?
The IUPAC name of 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one (CID 554537) is 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one.
What is the SMILES notation for 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one?
The canonical SMILES for 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one is COC1CC2C=CC3CC(=O)C1C32.
What is the InChIKey of 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one?
The InChIKey is ZZKMVTGDZKHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-9-5-7-3-2-6-4-8(12)11(9)10(6)7/h2-3,6-7,9-11H,4-5H2,1H3.
What are the key properties of 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one?
9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxytricyclo[5.2.1.04,10]dec-5-en-2-one is sourced from PubChem (CID 554537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).