1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene

C15H16O — CID 13414384

IUPAC1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene
SMILESCOC12C=CC(C(C)=C1C)c1ccccc12
InChIInChI=1S/C15H16O/c1-10-11(2)15(16-3)9-8-12(10)13-6-4-5-7-14(13)15/h4-9,12H,1-3H3
InChIKeyOQFCHPKMKQTTJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.53
Rot. Bonds1

About 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene

1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene (PubChem CID 13414384) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene.

Molecular Properties

Compound Name1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene
PubChem CID13414384
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene
SMILESCOC12C=CC(C(C)=C1C)c1ccccc12
InChIInChI=1S/C15H16O/c1-10-11(2)15(16-3)9-8-12(10)13-6-4-5-7-14(13)15/h4-9,12H,1-3H3
InChIKeyOQFCHPKMKQTTJZ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene?
The IUPAC name of 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene (CID 13414384) is 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene.
What is the SMILES notation for 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene?
The canonical SMILES for 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene is COC12C=CC(C(C)=C1C)c1ccccc12.
What is the InChIKey of 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene?
The InChIKey is OQFCHPKMKQTTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10-11(2)15(16-3)9-8-12(10)13-6-4-5-7-14(13)15/h4-9,12H,1-3H3.
What are the key properties of 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene?
1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene has a molecular weight of 212.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9,10-dimethyltricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene is sourced from PubChem (CID 13414384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).