7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one

C12H16O2 — CID 14270735

IUPAC7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one
SMILESCOC12C=C3CCCC3(CC1)CC2=O
InChIInChI=1S/C12H16O2/c1-14-12-6-5-11(8-10(12)13)4-2-3-9(11)7-12/h7H,2-6,8H2,1H3
InChIKeyHTSRHLPMZFJFEP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds1

About 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one

7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one (PubChem CID 14270735) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one.

Molecular Properties

Compound Name7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one
PubChem CID14270735
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one
SMILESCOC12C=C3CCCC3(CC1)CC2=O
InChIInChI=1S/C12H16O2/c1-14-12-6-5-11(8-10(12)13)4-2-3-9(11)7-12/h7H,2-6,8H2,1H3
InChIKeyHTSRHLPMZFJFEP-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
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

1-Methoxy-4-methylbicyclo[2.2.2]oct-5-en-2-one
CID 12614041
Bicyclo[2.2.2]oct-5-en-2-one, 1-methoxy-4-(2-methoxyethyl)-
CID 579769
1-Methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 12614044
2-Methoxy-5-methyl-2-(6-methylhept-2-en-2-yl)cyclohexan-1-one
CID 91044217
Cyclohexyl-(1-methoxycyclohexa-2,5-dien-1-yl)methanone;1-(1-methoxy-2-methylcyclohexa-2,5-dien-1-yl)-3,3-dimethylbutan-1-one
CID 174733602
(1R,7S)-7-methoxy-2-methyltricyclo[5.2.2.01,5]undec-5-en-8-one
CID 10058817
(1S,7S,9R)-9-but-2-ynyl-7-methoxy-9-methyltricyclo[5.2.2.01,5]undec-5-en-8-one
CID 10706373
(1R,8S)-8-methoxytricyclo[6.2.2.01,6]dodec-6-en-9-one
CID 10889056
(1S,4S)-1-methoxy-3,3-bis(prop-2-enyl)bicyclo[2.2.2]oct-5-en-2-one
CID 10889786
(1R,2S,6S,7R)-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 10911019
(1R,4S)-1-methoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 10953888
(1R,2S,6S,7R,9R)-7-methoxy-9-methyl-9-prop-2-enyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 10988522

Frequently Asked Questions

What is the IUPAC name of 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one?
The IUPAC name of 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one (CID 14270735) is 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one.
What is the SMILES notation for 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one?
The canonical SMILES for 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one is COC12C=C3CCCC3(CC1)CC2=O.
What is the InChIKey of 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one?
The InChIKey is HTSRHLPMZFJFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12-6-5-11(8-10(12)13)4-2-3-9(11)7-12/h7H,2-6,8H2,1H3.
What are the key properties of 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one?
7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one has a molecular weight of 192.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxytricyclo[5.2.2.01,5]undec-5-en-8-one is sourced from PubChem (CID 14270735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).