8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane

C13H22O — CID 71411324

IUPAC8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane
SMILESCOC1C(C)C2CC1C1CC(C)CC21
InChIInChI=1S/C13H22O/c1-7-4-10-9-6-12(11(10)5-7)13(14-3)8(9)2/h7-13H,4-6H2,1-3H3
InChIKeyCSUIQMUCOODNMJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.95
Rot. Bonds1

About 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane

8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane (PubChem CID 71411324) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane
PubChem CID71411324
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane
SMILESCOC1C(C)C2CC1C1CC(C)CC21
InChIInChI=1S/C13H22O/c1-7-4-10-9-6-12(11(10)5-7)13(14-3)8(9)2/h7-13H,4-6H2,1-3H3
InChIKeyCSUIQMUCOODNMJ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane (CID 71411324) is 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane is COC1C(C)C2CC1C1CC(C)CC21.
What is the InChIKey of 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane?
The InChIKey is CSUIQMUCOODNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-7-4-10-9-6-12(11(10)5-7)13(14-3)8(9)2/h7-13H,4-6H2,1-3H3.
What are the key properties of 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane?
8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane has a molecular weight of 194.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71411324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).