9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one

C11H14O2 — CID 130036197

IUPAC9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one
SMILESCOC1(C)CC2C=CC1C=CC2=O
InChIInChI=1S/C11H14O2/c1-11(13-2)7-8-3-4-9(11)5-6-10(8)12/h3-6,8-9H,7H2,1-2H3
InChIKeyUWGCSNJJASEFAJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.72
Rot. Bonds1

About 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one

9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one (PubChem CID 130036197) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one.

Molecular Properties

Compound Name9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one
PubChem CID130036197
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one
SMILESCOC1(C)CC2C=CC1C=CC2=O
InChIInChI=1S/C11H14O2/c1-11(13-2)7-8-3-4-9(11)5-6-10(8)12/h3-6,8-9H,7H2,1-2H3
InChIKeyUWGCSNJJASEFAJ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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

(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
CID 134894571
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
CID 572732
9-Ethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 14714284
(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 130906183
Methyl 2-methyl-3-oxocyclohept-4-ene-1-carboxylate
CID 123340933
4-(2-Methoxypropan-2-yl)cyclohex-2-en-1-one
CID 168155870
4-(2-Ethoxypropan-2-yl)cyclohex-2-en-1-one
CID 168155877
9,9-Diethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 85568971
5-Methoxy-5-methylcyclohept-2-en-1-one
CID 85739862
(9S)-9-ethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 102059439
(8S)-8-ethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 102059440
(9R)-9-ethoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 102059649

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one?
The IUPAC name of 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one (CID 130036197) is 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one.
What is the SMILES notation for 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one?
The canonical SMILES for 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one is COC1(C)CC2C=CC1C=CC2=O.
What is the InChIKey of 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one?
The InChIKey is UWGCSNJJASEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(13-2)7-8-3-4-9(11)5-6-10(8)12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one?
9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-9-methylbicyclo[3.2.2]nona-3,6-dien-2-one is sourced from PubChem (CID 130036197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).