7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene

C16H26O — CID 91747516

IUPAC7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene
SMILESCOCC12C=CC3(CC1)C(C)CCC3C2(C)C
InChIInChI=1S/C16H26O/c1-12-5-6-13-14(2,3)15(11-17-4)7-9-16(12,13)10-8-15/h7,9,12-13H,5-6,8,10-11H2,1-4H3
InChIKeyQPJVVWPGTAOGEF-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.04
Rot. Bonds2

About 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene

7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene (PubChem CID 91747516) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene.

Molecular Properties

Compound Name7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene
PubChem CID91747516
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene
SMILESCOCC12C=CC3(CC1)C(C)CCC3C2(C)C
InChIInChI=1S/C16H26O/c1-12-5-6-13-14(2,3)15(11-17-4)7-9-16(12,13)10-8-15/h7,9,12-13H,5-6,8,10-11H2,1-4H3
InChIKeyQPJVVWPGTAOGEF-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene?
The IUPAC name of 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene (CID 91747516) is 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene.
What is the SMILES notation for 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene?
The canonical SMILES for 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene is COCC12C=CC3(CC1)C(C)CCC3C2(C)C.
What is the InChIKey of 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene?
The InChIKey is QPJVVWPGTAOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12-5-6-13-14(2,3)15(11-17-4)7-9-16(12,13)10-8-15/h7,9,12-13H,5-6,8,10-11H2,1-4H3.
What are the key properties of 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene?
7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene has a molecular weight of 234.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2,6,6-trimethyltricyclo[5.2.2.01,5]undec-8-ene is sourced from PubChem (CID 91747516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).