4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene

C16H22O — CID 156500300

IUPAC4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene
SMILESCOC1C=C(C)C23C=CC(C)=C(C2)C(C)(C)C13
InChIInChI=1S/C16H22O/c1-10-6-7-16-9-12(10)15(3,4)14(16)13(17-5)8-11(16)2/h6-8,13-14H,9H2,1-5H3
InChIKeyXUGCHADYJGJQQD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.88
Rot. Bonds1

About 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene

4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene (PubChem CID 156500300) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene.

Molecular Properties

Compound Name4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene
PubChem CID156500300
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene
SMILESCOC1C=C(C)C23C=CC(C)=C(C2)C(C)(C)C13
InChIInChI=1S/C16H22O/c1-10-6-7-16-9-12(10)15(3,4)14(16)13(17-5)8-11(16)2/h6-8,13-14H,9H2,1-5H3
InChIKeyXUGCHADYJGJQQD-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene?
The IUPAC name of 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene (CID 156500300) is 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene.
What is the SMILES notation for 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene?
The canonical SMILES for 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene is COC1C=C(C)C23C=CC(C)=C(C2)C(C)(C)C13.
What is the InChIKey of 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene?
The InChIKey is XUGCHADYJGJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-10-6-7-16-9-12(10)15(3,4)14(16)13(17-5)8-11(16)2/h6-8,13-14H,9H2,1-5H3.
What are the key properties of 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene?
4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene has a molecular weight of 230.35 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene is sourced from PubChem (CID 156500300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).