8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane

C13H22O — CID 71411322

IUPAC8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane
SMILESCOC1CC2(C)CC1C1C(C)CCC12
InChIInChI=1S/C13H22O/c1-8-4-5-10-12(8)9-6-13(10,2)7-11(9)14-3/h8-12H,4-7H2,1-3H3
InChIKeyMAMNOGKHLJSRQM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.09
Rot. Bonds1

About 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane

8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane (PubChem CID 71411322) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane
PubChem CID71411322
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane
SMILESCOC1CC2(C)CC1C1C(C)CCC12
InChIInChI=1S/C13H22O/c1-8-4-5-10-12(8)9-6-13(10,2)7-11(9)14-3/h8-12H,4-7H2,1-3H3
InChIKeyMAMNOGKHLJSRQM-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane 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 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane (CID 71411322) is 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane is COC1CC2(C)CC1C1C(C)CCC12.
What is the InChIKey of 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane?
The InChIKey is MAMNOGKHLJSRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-8-4-5-10-12(8)9-6-13(10,2)7-11(9)14-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane?
8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane has a molecular weight of 194.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71411322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).